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

Systemtic Name: N-[5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[5-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[5-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-14-3-9-17(13-19(14)24-21(27)16-7-8-16)23-22(29)25-20(26)12-6-15-4-10-18(28-2)11-5-15/h3-6,9-13,16H,7-8H2,1-2H3,(H,24,27)(H2,23,25,26,29)/b12-6+