3-(2-methylpropoxy)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C24H29N3O3S/c1-17(2)16-30-21-11-7-8-18(15-21)22(28)26-24(31)25-20-10-6-9-19(14-20)23(29)27-12-4-3-5-13-27/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3,(H2,25,26,28,31)