N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-3-4-10-18-34-25-17-9-8-16-24(25)26(32)30-28(35)29-23-15-11-14-22(19-23)27(33)31(2)20-21-12-6-5-7-13-21/h5-9,11-17,19H,3-4,10,18,20H2,1-2H3,(H2,29,30,32,35)