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

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-3-methyl-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-3-methyl-butanoyl]isonipecotamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3S/c1-15(2)21(24(33)29-12-10-16(11-13-29)22(27)31)34-25-28-20-9-4-3-8-19(20)23(32)30(25)18-7-5-6-17(26)14-18/h3-9,14-16,21H,10-13H2,1-2H3,(H2,27,31)