N-(5-chloranyl-2-methoxy-phenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O3S/c1-28-17-8-7-13(21)11-15(17)24-18(26)12-16-19(27)22-9-10-25(16)20(29)23-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,22,27)(H,23,29)(H,24,26)