N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S/c1-2-3-4-5-9-20-33-27-14-10-13-25(22-27)30-29(35)31-28(32)24-15-17-26(18-16-24)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)