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

Systemtic Name: (2S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-propyl-propionamide Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O3S/c1-3-6-15-12(19)8(2)16-13(22)17-11-7-9(18(20)21)4-5-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,19)(H2,16,17,22)/t8-/m0/s1