N-(5-chloranyl-2-methyl-phenyl)-2-oxidanylidene-5-phenyl-3,5,6,7,8,9-hexahydro-1H-[1]benzothiolo[2,3-e][1,4]diazepine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-oxidanylidene-5-phenyl-3,5,6,7,8,9-hexahydro-1H-[1]benzothiolo[2,3-e][1,4]diazepine-4-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-oxo-5-phenyl-3,5,6,7,8,9-hexahydro-1H-benzothiopheno[2,3-e][1,4]diazepine-4-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-2-oxo-5-phenyl-3,5,6,7,8,9-hexahydro-1H-[1]benzothiolo[2,3-e][1,4]diazepine-4-carboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-oxo-5-phenyl-3,5,6,7,8,9-hexahydro-1H-[1]benzothiolo[2,3-e][1,4]diazepine-4-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-keto-5-phenyl-3,5,6,7,8,9-hexahydro-1H-benzothiopheno[2,3-e][1,4]diazepine-4-carboxamide Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C5=C(S3)CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C5=C(S3)CCCC5

InChI

InChI=1S/C25H24ClN3O2S/c1-15-11-12-17(26)13-19(15)27-25(31)29-14-21(30)28-24-22(18-9-5-6-10-20(18)32-24)23(29)16-7-3-2-4-8-16/h2-4,7-8,11-13,23H,5-6,9-10,14H2,1H3,(H,27,31)(H,28,30)