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

Systemtic Name: 3-(3-methylbutoxy)-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-18(2)13-16-31-22-8-6-7-20(17-22)23(29)27-25(32)26-21-11-9-19(10-12-21)24(30)28-14-4-3-5-15-28/h6-12,17-18H,3-5,13-16H2,1-2H3,(H2,26,27,29,32)