N-[4-methyl-3-[(2-methylphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-3-[(2-methylphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[(2-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[(2-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-(o-toluoylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H19N3O3S/c1-13-6-3-4-7-16(13)19(25)24-21(28)23-17-12-15(10-9-14(17)2)22-20(26)18-8-5-11-27-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,25,28)