(2S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-ethyl-propionamide Formula: C12H15ClN4O3S MolecularWeight: 330.7905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3S/c1-3-14-11(18)7(2)15-12(21)16-10-6-8(17(19)20)4-5-9(10)13/h4-7H,3H2,1-2H3,(H,14,18)(H2,15,16,21)/t7-/m0/s1