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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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