1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-methyl-pentanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-methyl-pentanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-4-methyl-pentanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-4-methyl-1-oxopentyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-4-methylpentanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-4-methyl-pentanoyl]isonipecotamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H29ClN4O3S/c1-16(2)14-22(25(34)30-12-10-17(11-13-30)23(28)32)35-26-29-21-9-4-3-8-20(21)24(33)31(26)19-7-5-6-18(27)15-19/h3-9,15-17,22H,10-14H2,1-2H3,(H2,28,32)