N-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(5-chloro-2-methyl-phenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(5-chloro-2-methylphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(5-chloro-2-methyl-phenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2S/c1-3-4-5-6-7-14-27-19-12-9-17(10-13-19)21(26)25-22(28)24-20-15-18(23)11-8-16(20)2/h8-13,15H,3-7,14H2,1-2H3,(H2,24,25,26,28)