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

Systemtic Name: 2-(3-methylbutoxy)-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-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=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-18(2)14-17-31-22-9-5-4-8-21(22)23(29)27-25(32)26-20-12-10-19(11-13-20)24(30)28-15-6-3-7-16-28/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H2,26,27,29,32)