(Z)-N-butyl-3-(butylcarbamothioylamino)-2-cyano-3-(3-methylphenyl)prop-2-enethioamide

Systemtic Name: (Z)-N-butyl-3-(butylcarbamothioylamino)-2-cyano-3-(3-methylphenyl)prop-2-enethioamide Openeye Name: (Z)-N-butyl-3-(butylcarbamothioylamino)-2-cyano-3-(m-tolyl)prop-2-enethioamide CAS Name: (Z)-N-butyl-3-[[butylamino(sulfanylidene)methyl]amino]-2-cyano-3-(3-methylphenyl)-2-propenethioamide IUPAC Name: (Z)-N-butyl-3-(butylcarbamothioylamino)-2-cyano-3-(3-methylphenyl)prop-2-enethioamide Traditional Name: (Z)-N-butyl-3-(butylthiocarbamoylamino)-2-cyano-3-(m-tolyl)thioacrylamide Formula: C20H28N4S2 MolecularWeight: 388.59312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C(=C(C1=CC(=CC=C1)C)NC(=S)NCCCC)C#N

Isomeric SMILES

CCCCNC(=S)/C(=C(/C1=CC(=CC=C1)C)\NC(=S)NCCCC)/C#N

InChI

InChI=1S/C20H28N4S2/c1-4-6-11-22-19(25)17(14-21)18(16-10-8-9-15(3)13-16)24-20(26)23-12-7-5-2/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,25)(H2,23,24,26)/b18-17-