N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(2,5-dimethylphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-4-5-6-7-14-26-19-12-10-18(11-13-19)21(25)24-22(27)23-20-15-16(2)8-9-17(20)3/h8-13,15H,4-7,14H2,1-3H3,(H2,23,24,25,27)