N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c1-21-13-15-32(16-14-21)28(34)23-8-5-9-24(19-23)30-29(37)31-27(33)22-7-6-12-26(20-22)36-18-17-35-25-10-3-2-4-11-25/h2-12,19-21H,13-18H2,1H3,(H2,30,31,33,37)