N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN5O4S/c1-2-3-11-8-15(24)22-17(21-11)28-10-16(25)20-7-6-19-14-5-4-12(23(26)27)9-13(14)18/h4-5,8-9,19H,2-3,6-7,10H2,1H3,(H,20,25)(H,21,22,24)