(Z)-2-cyano-3-(3-methylphenyl)-N-pentyl-3-(pentylcarbamothioylamino)prop-2-enethioamide

Systemtic Name: (Z)-2-cyano-3-(3-methylphenyl)-N-pentyl-3-(pentylcarbamothioylamino)prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-(m-tolyl)-N-pentyl-3-(pentylcarbamothioylamino)prop-2-enethioamide CAS Name: (Z)-2-cyano-3-(3-methylphenyl)-N-pentyl-3-[[(pentylamino)-sulfanylidenemethyl]amino]-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-(3-methylphenyl)-N-pentyl-3-(pentylcarbamothioylamino)prop-2-enethioamide Traditional Name: (Z)-N-amyl-3-(amylthiocarbamoylamino)-2-cyano-3-(m-tolyl)thioacrylamide Formula: C22H32N4S2 MolecularWeight: 416.64628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)C(=C(C1=CC(=CC=C1)C)NC(=S)NCCCCC)C#N

Isomeric SMILES

CCCCCNC(=S)/C(=C(/C1=CC(=CC=C1)C)\NC(=S)NCCCCC)/C#N

InChI

InChI=1S/C22H32N4S2/c1-4-6-8-13-24-21(27)19(16-23)20(18-12-10-11-17(3)15-18)26-22(28)25-14-9-7-5-2/h10-12,15H,4-9,13-14H2,1-3H3,(H,24,27)(H2,25,26,28)/b20-19-