3-bromanyl-4-(3-methylbutoxy)-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

InChI

InChI=1S/C26H32BrN3O3S/c1-17(2)12-15-33-23-9-8-19(16-21(23)27)24(31)29-26(34)28-22-7-5-4-6-20(22)25(32)30-13-10-18(3)11-14-30/h4-9,16-18H,10-15H2,1-3H3,(H2,28,29,31,34)