N-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C31H27N3O2S2 MolecularWeight: 537.69498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O2S2/c35-28(19-16-22-10-4-1-5-11-22)32-25-17-18-26-27(20-25)38-31(33-26)37-21-29(36)34-30(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,17-18,20,30H,16,19,21H2,(H,32,35)(H,34,36)