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

Systemtic Name: 4-heptoxy-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C27H37N3O4S2 MolecularWeight: 531.73038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C27H37N3O4S2/c1-3-4-5-6-7-20-34-24-12-8-22(9-13-24)26(31)29-27(35)28-23-10-14-25(15-11-23)36(32,33)30-18-16-21(2)17-19-30/h8-15,21H,3-7,16-20H2,1-2H3,(H2,28,29,31,35)