N-(3-chloranyl-2-methyl-phenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[1-[(4-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[3-keto-1-[(4-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23ClN4O3S/c1-13-16(22)4-3-5-17(13)25-19(27)12-18-20(28)23-10-11-26(18)21(30)24-14-6-8-15(29-2)9-7-14/h3-9,18H,10-12H2,1-2H3,(H,23,28)(H,24,30)(H,25,27)