N-(3-chloranyl-4-methoxy-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)Cl

InChI

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