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

Systemtic Name: (Z)-2-cyano-3-(3-methylphenyl)-N-propyl-3-(propylcarbamothioylamino)prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-(m-tolyl)-N-propyl-3-(propylcarbamothioylamino)prop-2-enethioamide CAS Name: (Z)-2-cyano-3-(3-methylphenyl)-N-propyl-3-[[propylamino(sulfanylidene)methyl]amino]-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-(3-methylphenyl)-N-propyl-3-(propylcarbamothioylamino)prop-2-enethioamide Traditional Name: (Z)-2-cyano-3-(m-tolyl)-N-propyl-3-(propylthiocarbamoylamino)thioacrylamide Formula: C18H24N4S2 MolecularWeight: 360.53996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)C(=C(C1=CC(=CC=C1)C)NC(=S)NCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4S2/c1-4-9-20-17(23)15(12-19)16(22-18(24)21-10-5-2)14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,23)(H2,21,22,24)/b16-15-