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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanamide Openeye Name: 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NCC=C

InChI

InChI=1S/C17H21ClN4O3S/c1-3-6-20-17(26)22-8-7-19-16(24)13(22)10-15(23)21-12-9-11(18)4-5-14(12)25-2/h3-5,9,13H,1,6-8,10H2,2H3,(H,19,24)(H,20,26)(H,21,23)