N-[(2,6-dimethylphenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-4-5-6-7-8-16-27-20-14-12-19(13-15-20)22(26)25-23(28)24-21-17(2)10-9-11-18(21)3/h9-15H,4-8,16H2,1-3H3,(H2,24,25,26,28)