ethyl 4-[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c1-2-33-24(30)26-13-11-25(12-14-26)23(29)17-34-22-16-27(21-6-4-3-5-20(21)22)15-18-7-9-19(10-8-18)28(31)32/h3-10,16H,2,11-15,17H2,1H3