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

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H23N3O2S/c1-2-3-4-5-13-26-19-11-9-17(10-12-19)20(25)24-21(27)23-18-8-6-7-16(14-18)15-22/h6-12,14H,2-5,13H2,1H3,(H2,23,24,25,27)