N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S2/c1-21-14-17-31(18-15-21)37(33,34)26-12-10-24(11-13-26)29-28(36)30-27(32)23-8-5-9-25(20-23)35-19-16-22-6-3-2-4-7-22/h2-13,20-21H,14-19H2,1H3,(H2,29,30,32,36)