N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-2-9-25-13-6-3-11(4-7-13)16(22)20-17(26)19-14-8-5-12(18)10-15(14)21(23)24/h3-8,10H,2,9H2,1H3,(H2,19,20,22,26)