N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C11H12ClN3O3S MolecularWeight: 301.74928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H12ClN3O3S/c1-3-10(16)14-11(19)13-8-5-7(12)9(15(17)18)4-6(8)2/h4-5H,3H2,1-2H3,(H2,13,14,16,19)