N-[(2-chlorophenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(2-chlorophenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2-chlorophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2-chloroanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2-chlorophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2-chlorophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-2-3-4-5-8-15-26-17-13-11-16(12-14-17)20(25)24-21(27)23-19-10-7-6-9-18(19)22/h6-7,9-14H,2-5,8,15H2,1H3,(H2,23,24,25,27)