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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C26H25N3O2S/c1-17-8-6-13-21(18(17)2)28-25(30)16-32-26-15-24(19-9-7-10-20(14-19)31-3)27-22-11-4-5-12-23(22)29-26/h4-14H,15-16H2,1-3H3,(H,28,30)