3-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-4-methoxy-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-4-12(2)22-18(25)13-5-8-15(9-6-13)23-20(28)24-19(26)14-7-10-17(27-3)16(21)11-14/h5-12H,4H2,1-3H3,(H,22,25)(H2,23,24,26,28)