N-[3-[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide

Systemtic Name: N-[3-[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[3-[1-[(3-chloro-4-methyl-phenyl)carbamoyl]propylsulfanyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[3-[1-[(3-chloro-4-methyl-phenyl)carbamoyl]propylthio]phenyl]-2-furamide Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H21ClN2O3S/c1-3-20(22(27)25-16-10-9-14(2)18(23)13-16)29-17-7-4-6-15(12-17)24-21(26)19-8-5-11-28-19/h4-13,20H,3H2,1-2H3,(H,24,26)(H,25,27)