ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-benzyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H29N5O6S MolecularWeight: 587.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C30H29N5O6S/c1-2-41-30(38)33-15-13-32(14-16-33)27(36)23-11-12-25-26(18-23)31-29(34(28(25)37)19-21-7-4-3-5-8-21)42-20-22-9-6-10-24(17-22)35(39)40/h3-12,17-18H,2,13-16,19-20H2,1H3