(Z)-3-azanyl-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enethioamide

Systemtic Name: (Z)-3-azanyl-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enethioamide Openeye Name: (Z)-3-amino-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enethioamide CAS Name: (Z)-3-amino-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propenethioamide IUPAC Name: (Z)-3-amino-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enethioamide Traditional Name: (Z)-3-amino-N-(4-chlorophenyl)-2-cyano-3-[4-(4-methoxyphenyl)piperazino]thioacrylamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=C(C#N)C(=S)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)/C(=C(/C#N)\C(=S)NC3=CC=C(C=C3)Cl)/N

InChI

InChI=1S/C21H22ClN5OS/c1-28-18-8-6-17(7-9-18)26-10-12-27(13-11-26)20(24)19(14-23)21(29)25-16-4-2-15(22)3-5-16/h2-9H,10-13,24H2,1H3,(H,25,29)/b20-19-