4-heptoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-2-3-4-5-9-20-33-26-17-15-24(16-18-26)28(32)31-29(35)30-25-13-10-14-27(22-25)34-21-19-23-11-7-6-8-12-23/h6-8,10-18,22H,2-5,9,19-21H2,1H3,(H2,30,31,32,35)