4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3S/c1-4-5-6-7-8-18-30-23-13-9-21(10-14-23)25(29)28-26(32)27-22-11-15-24(16-12-22)31-19-17-20(2)3/h9-16,20H,4-8,17-19H2,1-3H3,(H2,27,28,29,32)