N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C22H27BrN2O4S/c1-6-27-17-11-15(12-18(28-7-2)20(17)29-8-3)21(26)25-22(30)24-19-13(4)9-16(23)10-14(19)5/h9-12H,6-8H2,1-5H3,(H2,24,25,26,30)