N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-4-5-6-13-27-16-9-7-15(8-10-16)20(24)23-21(28)22-18-14-17(25-2)11-12-19(18)26-3/h7-12,14H,4-6,13H2,1-3H3,(H2,22,23,24,28)