ethyl 4-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H27ClN4O4S MolecularWeight: 515.02428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H27ClN4O4S/c1-3-34-25(33)29-12-10-18(11-13-29)30-23(32)19-6-4-5-7-21(19)28-24(30)35-15-22(31)27-17-9-8-16(2)20(26)14-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,27,31)