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

Systemtic Name: N-[[2,5-bis(chloranyl)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2,5-dichlorophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2,5-dichloroanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2,5-dichlorophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2,5-dichlorophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C21H24Cl2N2O2S MolecularWeight: 439.39846

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O2S/c1-2-3-4-5-6-13-27-17-10-7-15(8-11-17)20(26)25-21(28)24-19-14-16(22)9-12-18(19)23/h7-12,14H,2-6,13H2,1H3,(H2,24,25,26,28)