N-[(4-heptoxyphenyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-2-3-4-5-9-20-31-25-18-16-24(17-19-25)28-27(32)29-26(30)23-14-12-22(13-15-23)21-10-7-6-8-11-21/h6-8,10-19H,2-5,9,20H2,1H3,(H2,28,29,30,32)