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

Systemtic Name: (Z)-N-tert-butyl-2-cyano-3-(3-methylphenyl)-3-(phenylcarbamothioylamino)prop-2-enethioamide Openeye Name: (Z)-N-tert-butyl-2-cyano-3-(m-tolyl)-3-(phenylcarbamothioylamino)prop-2-enethioamide CAS Name: (Z)-3-[[anilino(sulfanylidene)methyl]amino]-N-tert-butyl-2-cyano-3-(3-methylphenyl)-2-propenethioamide IUPAC Name: (Z)-N-tert-butyl-2-cyano-3-(3-methylphenyl)-3-(phenylcarbamothioylamino)prop-2-enethioamide Traditional Name: (Z)-N-tert-butyl-2-cyano-3-(m-tolyl)-3-(phenylthiocarbamoylamino)thioacrylamide Formula: C22H24N4S2 MolecularWeight: 408.58276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=C(C#N)C(=S)NC(C)(C)C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)/C(=C(\C#N)/C(=S)NC(C)(C)C)/NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C22H24N4S2/c1-15-9-8-10-16(13-15)19(18(14-23)20(27)26-22(2,3)4)25-21(28)24-17-11-6-5-7-12-17/h5-13H,1-4H3,(H,26,27)(H2,24,25,28)/b19-18-