N-(4-butyl-2-methyl-phenyl)-4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C24H29ClN4OS/c1-3-4-6-18-7-9-20(17(2)15-18)26-23(30)28-11-5-12-29(14-13-28)24-27-21-10-8-19(25)16-22(21)31-24/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,26,30)