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

Systemtic Name: N-[3-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(4-ethylbenzoyl)carbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-ethylbenzoyl)carbamothioylamino]-4-methylphenyl]furan-2-carboxamide Traditional Name: N-[3-[(4-ethylbenzoyl)thiocarbamoylamino]-4-methyl-phenyl]-2-furamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C22H21N3O3S/c1-3-15-7-9-16(10-8-15)20(26)25-22(29)24-18-13-17(11-6-14(18)2)23-21(27)19-5-4-12-28-19/h4-13H,3H2,1-2H3,(H,23,27)(H2,24,25,26,29)