N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O4S/c1-2-4-12-9-16(25)23-18(22-12)29-11-17(26)21-8-3-7-20-15-6-5-13(24(27)28)10-14(15)19/h5-6,9-10,20H,2-4,7-8,11H2,1H3,(H,21,26)(H,22,23,25)