N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-3-25-15-8-7-11(9-14(15)21(23)24)16(22)20-17(26)19-13-6-4-5-12(18)10(13)2/h4-9H,3H2,1-2H3,(H2,19,20,22,26)