(Z)-2-cyano-3-(3-methylphenyl)-3-(phenylcarbamothioylamino)-N-propyl-prop-2-enethioamide

Systemtic Name: (Z)-2-cyano-3-(3-methylphenyl)-3-(phenylcarbamothioylamino)-N-propyl-prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-(m-tolyl)-3-(phenylcarbamothioylamino)-N-propyl-prop-2-enethioamide CAS Name: (Z)-3-[[anilino(sulfanylidene)methyl]amino]-2-cyano-3-(3-methylphenyl)-N-propyl-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-(3-methylphenyl)-3-(phenylcarbamothioylamino)-N-propylprop-2-enethioamide Traditional Name: (Z)-2-cyano-3-(m-tolyl)-3-(phenylthiocarbamoylamino)-N-propyl-thioacrylamide Formula: C21H22N4S2 MolecularWeight: 394.55618

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)C(=C(C1=CC(=CC=C1)C)NC(=S)NC2=CC=CC=C2)C#N

Isomeric SMILES

CCCNC(=S)/C(=C(/C1=CC(=CC=C1)C)\NC(=S)NC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H22N4S2/c1-3-12-23-20(26)18(14-22)19(16-9-7-8-15(2)13-16)25-21(27)24-17-10-5-4-6-11-17/h4-11,13H,3,12H2,1-2H3,(H,23,26)(H2,24,25,27)/b19-18-