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

Systemtic Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-14-17(24-22(28)16-9-10-16)5-4-6-18(14)25-23(31)26-21(27)12-8-15-7-11-19(29-2)20(13-15)30-3/h4-8,11-13,16H,9-10H2,1-3H3,(H,24,28)(H2,25,26,27,31)/b12-8+