N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C24H31N3O2S/c1-17(2)16-29-22-9-6-8-19(15-22)23(28)26-24(30)25-20-10-12-21(13-11-20)27-14-5-4-7-18(27)3/h6,8-13,15,17-18H,4-5,7,14,16H2,1-3H3,(H2,25,26,28,30)