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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C25H33N3O4S2/c1-3-4-7-18-32-23-9-6-5-8-22(23)24(29)27-25(33)26-20-10-12-21(13-11-20)34(30,31)28-16-14-19(2)15-17-28/h5-6,8-13,19H,3-4,7,14-18H2,1-2H3,(H2,26,27,29,33)