N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]propionamide Formula: C10H10ClN3O3S MolecularWeight: 287.7227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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