3-bromanyl-4-(3-methylbutoxy)-N-[methyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[methyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[benzyl(methyl)thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-15(2)11-12-26-19-10-9-17(13-18(19)22)20(25)23-21(27)24(3)14-16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25,27)