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

Systemtic Name: N-[2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethyl]ethanamide Openeye Name: N-[2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]ethyl]acetamide CAS Name: N-[2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: N-[2-[(2-chloro-5-nitrophenyl)carbamothioylamino]ethyl]acetamide Traditional Name: N-[2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]ethyl]acetamide Formula: C11H13ClN4O3S MolecularWeight: 316.76392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN4O3S/c1-7(17)13-4-5-14-11(20)15-10-6-8(16(18)19)2-3-9(10)12/h2-3,6H,4-5H2,1H3,(H,13,17)(H2,14,15,20)