N-[2-chloranyl-4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[2-chloranyl-4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-(isovalerylthiocarbamoylamino)phenyl]-2-furamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-10(2)8-15(22)21-17(25)19-11-5-6-13(12(18)9-11)20-16(23)14-4-3-7-24-14/h3-7,9-10H,8H2,1-2H3,(H,20,23)(H2,19,21,22,25)