N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C22H22N4O3S/c1-14-2-4-15(5-3-14)6-13-19(27)24-22(30)26-25-21(29)17-9-11-18(12-10-17)23-20(28)16-7-8-16/h2-6,9-13,16H,7-8H2,1H3,(H,23,28)(H,25,29)(H2,24,26,27,30)/b13-6+