3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[(2-butan-2-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[(2-butan-2-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(3,5-dibromo-2-methoxy-phenyl)-N-[(2-sec-butylphenyl)carbamothioyl]prop-2-enamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-3-(3,5-dibromo-2-methoxyphenyl)-2-propenamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide Traditional Name: 3-(3,5-dibromo-2-methoxy-phenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]acrylamide Formula: C21H22Br2N2O2S MolecularWeight: 526.28458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C21H22Br2N2O2S/c1-4-13(2)16-7-5-6-8-18(16)24-21(28)25-19(26)10-9-14-11-15(22)12-17(23)20(14)27-3/h5-13H,4H2,1-3H3,(H2,24,25,26,28)