2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-32-22-13-7-12-21(17-22)25-18-27(30-24-15-6-5-14-23(24)29-25)33-19-26(31)28-16-8-11-20-9-3-2-4-10-20/h2-7,9-10,12-15,17H,8,11,16,18-19H2,1H3,(H,28,31)