4-heptoxy-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[3-(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(=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3S/c1-3-4-5-6-7-19-34-25-13-11-22(12-14-25)26(32)30-28(35)29-24-10-8-9-23(20-24)27(33)31-17-15-21(2)16-18-31/h8-14,20-21H,3-7,15-19H2,1-2H3,(H2,29,30,32,35)