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

Systemtic Name: N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2Cl)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl)NC(=O)C3CC3

InChI

InChI=1S/C21H20ClN3O2S/c1-13-17(23-20(27)15-9-10-15)7-4-8-18(13)24-21(28)25-19(26)12-11-14-5-2-3-6-16(14)22/h2-8,11-12,15H,9-10H2,1H3,(H,23,27)(H2,24,25,26,28)/b12-11+