4-heptoxy-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O2S/c1-2-3-4-5-9-20-32-25-18-12-21(13-19-25)26(31)30-27(33)29-24-16-14-23(15-17-24)28-22-10-7-6-8-11-22/h6-8,10-19,28H,2-5,9,20H2,1H3,(H2,29,30,31,33)