N-[2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-5-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-5-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-5-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]cyclopropanecarboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

InChI=1S/C22H23N3O2S/c1-14-3-6-16(7-4-14)8-12-20(26)25-22(28)23-18-11-5-15(2)19(13-18)24-21(27)17-9-10-17/h3-8,11-13,17H,9-10H2,1-2H3,(H,24,27)(H2,23,25,26,28)/b12-8+