N-butyl-N-[2-[[(2R)-2-oxidanyl-2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propanamide

Systemtic Name: N-butyl-N-[2-[[(2R)-2-oxidanyl-2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propanamide Openeye Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propanamide CAS Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxypropanamide IUPAC Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxypropanamide Traditional Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propionamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNCC(C1=C2C(=C(C=C1)O)NC(=O)S2)O)C(=O)CCOCCC3=CC=CC=C3

Isomeric SMILES

CCCCN(CCNC[C@@H](C1=C2C(=C(C=C1)O)NC(=O)S2)O)C(=O)CCOCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O5S/c1-2-3-14-29(23(32)12-17-34-16-11-19-7-5-4-6-8-19)15-13-27-18-22(31)20-9-10-21(30)24-25(20)35-26(33)28-24/h4-10,22,27,30-31H,2-3,11-18H2,1H3,(H,28,33)/t22-/m0/s1