N-[(3-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-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(=C2)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C22H25N3O2S/c1-2-3-4-5-6-14-27-20-12-10-18(11-13-20)21(26)25-22(28)24-19-9-7-8-17(15-19)16-23/h7-13,15H,2-6,14H2,1H3,(H2,24,25,26,28)