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

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]propionamide Formula: C10H10ClN3O3S MolecularWeight: 287.7227

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClN3O3S/c1-2-9(15)13-10(18)12-7-4-3-6(11)5-8(7)14(16)17/h3-5H,2H2,1H3,(H2,12,13,15,18)