4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(p-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(p-tolyl)-1,4-diazepane-1-carboxamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-14-3-6-16(7-4-14)22-19(26)24-9-2-10-25(12-11-24)20-23-17-8-5-15(21)13-18(17)27-20/h3-8,13H,2,9-12H2,1H3,(H,22,26)