1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-cyclohexyl-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-cyclohexyl-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexyl-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-cyclohexyl-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C29H31ClN4O4S MolecularWeight: 567.09884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H31ClN4O4S/c30-21-9-6-18(7-10-21)25(35)17-39-29-32-24-16-20(27(37)33-14-12-19(13-15-33)26(31)36)8-11-23(24)28(38)34(29)22-4-2-1-3-5-22/h6-11,16,19,22H,1-5,12-15,17H2,(H2,31,36)