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

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]propionamide Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-3-10(15)13-11(18)12-9-6-8(14(16)17)5-4-7(9)2/h4-6H,3H2,1-2H3,(H2,12,13,15,18)