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

Systemtic Name: 3-bromanyl-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-26-19-11-10-17(12-18(19)22)20(25)23-21(27)24(14-16-8-5-9-16)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3,(H,23,25,27)