N-(diphenylmethyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(diphenylmethyl)-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-benzhydryl-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(diphenylmethyl)-2-[[6-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-benzhydryl-2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: N-benzhydryl-2-[[6-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]thio]propionamide Formula: C32H29N3O2S2 MolecularWeight: 551.72156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C32H29N3O2S2/c1-22(31(37)35-30(24-13-7-3-8-14-24)25-15-9-4-10-16-25)38-32-34-27-19-18-26(21-28(27)39-32)33-29(36)20-17-23-11-5-2-6-12-23/h2-16,18-19,21-22,30H,17,20H2,1H3,(H,33,36)(H,35,37)