2-[4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C22H27ClN4O3S/c1-29-19-14-18(20(30-2)13-17(19)23)25-22(31)27-10-6-9-26(11-12-27)15-21(28)24-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,24,28)(H,25,31)