N-[4-[[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propanamide

Systemtic Name: N-[4-[[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propanamide Openeye Name: N-[4-[[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[(2-phenylphenyl)carbamoylamino]-1-piperidyl]propanamide CAS Name: N-[4-[[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[[oxo-(2-phenylanilino)methyl]amino]-1-piperidinyl]propanamide IUPAC Name: N-[4-[[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propanamide Traditional Name: N-[4-[[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]methyl]phenyl]-3-[4-[(2-phenylphenyl)carbamoylamino]piperidino]propionamide Formula: C37H40N6O4S MolecularWeight: 664.8163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)CNCCC5=C6C(=C(C=C5)O)NC(=O)S6

Isomeric SMILES

C1CN(CCC1NC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)CNCCC5=C6C(=C(C=C5)O)NC(=O)S6

InChI

InChI=1S/C37H40N6O4S/c44-32-15-12-27(35-34(32)42-37(47)48-35)16-20-38-24-25-10-13-28(14-11-25)39-33(45)19-23-43-21-17-29(18-22-43)40-36(46)41-31-9-5-4-8-30(31)26-6-2-1-3-7-26/h1-15,29,38,44H,16-24H2,(H,39,45)(H,42,47)(H2,40,41,46)