N-[(4-hexoxyphenyl)carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[(4-hexoxyanilino)-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(4-hexoxyphenyl)thiocarbamoyl]benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCCCC

InChI

InChI=1S/C25H34N2O3S/c1-3-5-7-11-18-29-21-16-14-20(15-17-21)26-25(31)27-24(28)22-12-8-9-13-23(22)30-19-10-6-4-2/h8-9,12-17H,3-7,10-11,18-19H2,1-2H3,(H2,26,27,28,31)