1-[2-[3-(3-chlorophenyl)-8-methoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-8-methoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-8-methoxy-4-oxo-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-8-methoxy-4-oxo-2-quinazolinyl]thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-8-methoxy-4-oxoquinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-8-methoxy-quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C27H31ClN4O4S MolecularWeight: 543.07744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC=C3OC)C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC=C3OC)C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H31ClN4O4S/c1-3-4-11-22(26(35)31-14-12-17(13-15-31)24(29)33)37-27-30-23-20(9-6-10-21(23)36-2)25(34)32(27)19-8-5-7-18(28)16-19/h5-10,16-17,22H,3-4,11-15H2,1-2H3,(H2,29,33)