6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-phenethyl-N-(phenylmethyl)hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-phenethyl-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethylhexanamide Traditional Name: N-benzyl-6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-hexanamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C28H31N3O3S/c32-27(31(22-24-14-6-2-7-15-24)21-19-23-12-4-1-5-13-23)18-8-3-11-20-29-28-25-16-9-10-17-26(25)35(33,34)30-28/h1-2,4-7,9-10,12-17H,3,8,11,18-22H2,(H,29,30)