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

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(2-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=C2C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H23N3O2S/c1-2-3-4-7-14-26-18-12-10-16(11-13-18)20(25)24-21(27)23-19-9-6-5-8-17(19)15-22/h5-6,8-13H,2-4,7,14H2,1H3,(H2,23,24,25,27)