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

Systemtic Name: N-(2-chloranyl-5-methoxy-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-methoxy-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-5-methoxyphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(2-chloro-5-methoxyphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-5-methoxy-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3S/c1-31-17-7-5-6-16(12-17)22-14-25(29-21-9-4-3-8-20(21)27-22)33-15-24(30)28-23-13-18(32-2)10-11-19(23)26/h3-13H,14-15H2,1-2H3,(H,28,30)