(E)-N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]acrylamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-3-13(2)15-7-10-18(24)17(12-15)22-20(26)23-19(25)11-6-14-4-8-16(21)9-5-14/h4-13,24H,3H2,1-2H3,(H2,22,23,25,26)/b11-6+