4-heptoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C

InChI

InChI=1S/C28H37N3O3S/c1-3-4-5-6-9-20-34-23-14-12-22(13-15-23)26(32)30-28(35)29-25-11-8-7-10-24(25)27(33)31-18-16-21(2)17-19-31/h7-8,10-15,21H,3-6,9,16-20H2,1-2H3,(H2,29,30,32,35)