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

Systemtic Name: N-(4-chlorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-30-19-6-4-5-16(13-19)22-14-24(28-21-8-3-2-7-20(21)27-22)31-15-23(29)26-18-11-9-17(25)10-12-18/h2-13H,14-15H2,1H3,(H,26,29)