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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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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)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O5S2/c1-21-14-16-31(17-15-21)38(33,34)26-12-10-23(11-13-26)29-28(37)30-27(32)22-6-5-9-25(20-22)36-19-18-35-24-7-3-2-4-8-24/h2-13,20-21H,14-19H2,1H3,(H2,29,30,32,37)