1-[2-[3-(3-chlorophenyl)-7-methyl-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-7-methyl-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-7-methyl-4-oxo-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-7-methyl-4-oxo-2-quinazolinyl]thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-7-methyl-4-oxoquinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-7-methyl-quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC(=C3)C)C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC(=C3)C)C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H31ClN4O3S/c1-3-4-8-23(26(35)31-13-11-18(12-14-31)24(29)33)36-27-30-22-15-17(2)9-10-21(22)25(34)32(27)20-7-5-6-19(28)16-20/h5-7,9-10,15-16,18,23H,3-4,8,11-14H2,1-2H3,(H2,29,33)