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

Systemtic Name: N-[4-methoxy-3-[(3-methylphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methoxy-3-[(3-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methoxy-3-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methoxy-3-[(3-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methoxy-3-(m-toluoylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13-5-3-6-14(11-13)19(25)24-21(29)23-16-12-15(8-9-17(16)27-2)22-20(26)18-7-4-10-28-18/h3-12H,1-2H3,(H,22,26)(H2,23,24,25,29)