ethyl 2-[2-nitro-4-(4-phenylpiperazin-1-yl)carbonyl-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(4-phenylpiperazin-1-yl)carbonyl-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]thio]acetic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-2-29-20(25)15-30-19-9-8-16(14-18(19)24(27)28)21(26)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3