3-bromanyl-4-(3-methylbutoxy)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

InChI

InChI=1S/C25H30BrN3O3S/c1-17(2)12-15-32-22-11-10-18(16-20(22)26)23(30)28-25(33)27-21-9-5-4-8-19(21)24(31)29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H2,27,28,30,33)