4-(4-chloranylphenoxy)-N-(cyclopropylmethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-(cyclopropylmethylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-(4-chlorophenoxy)-N-(cyclopropylmethylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-(4-chlorophenoxy)-N-[(cyclopropylmethylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenoxy)-N-(cyclopropylmethylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-(4-chlorophenoxy)-N-(cyclopropylmethylthiocarbamoyl)-3-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=S)NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1CNC(=S)NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4S/c19-13-4-6-14(7-5-13)26-16-8-3-12(9-15(16)22(24)25)17(23)21-18(27)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H2,20,21,23,27)