3-bromanyl-N-[(4-butylphenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-butylphenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4-butylphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(4-butylanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4-butylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(4-butylphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C19H21BrN2O2S/c1-3-4-5-13-6-9-15(10-7-13)21-19(25)22-18(23)14-8-11-17(24-2)16(20)12-14/h6-12H,3-5H2,1-2H3,(H2,21,22,23,25)