3-butoxy-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C25H31N3O3S/c1-3-4-16-31-22-7-5-6-20(17-22)23(29)27-25(32)26-21-10-8-19(9-11-21)24(30)28-14-12-18(2)13-15-28/h5-11,17-18H,3-4,12-16H2,1-2H3,(H2,26,27,29,32)