N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H19N3O3S/c1-15-7-9-16(10-8-15)11-12-20(26)25-22(29)24-18-5-2-4-17(14-18)23-21(27)19-6-3-13-28-19/h2-14H,1H3,(H,23,27)(H2,24,25,26,29)/b12-11+