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

Systemtic Name: N-[2-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]cyclopropanecarboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

InChI

InChI=1S/C22H23N3O2S/c1-14-6-8-16(9-7-14)10-13-20(26)25-22(28)24-19-5-3-4-18(15(19)2)23-21(27)17-11-12-17/h3-10,13,17H,11-12H2,1-2H3,(H,23,27)(H2,24,25,26,28)/b13-10+