N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-17-13-15-25(16-14-17)30(27,28)20-10-8-19(9-11-20)23-22(29)24-21(26)12-7-18-5-3-2-4-6-18/h2-6,8-11,17H,7,12-16H2,1H3,(H2,23,24,26,29)