N-[(2-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C22H25N3O2S/c1-2-3-4-5-8-15-27-19-13-11-17(12-14-19)21(26)25-22(28)24-20-10-7-6-9-18(20)16-23/h6-7,9-14H,2-5,8,15H2,1H3,(H2,24,25,26,28)