3-bromanyl-4-(2-methylpropoxy)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C24H30BrN3O2S MolecularWeight: 504.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C24H30BrN3O2S/c1-17(2)16-30-22-9-8-19(14-21(22)25)23(29)27-24(31)26-20-10-12-28(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H2,26,27,29,31)