2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-methyl-2-piperidinosulfonyl-phenyl)acetamide Formula: C29H29ClN4O4S2 MolecularWeight: 597.14796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H29ClN4O4S2/c1-19-13-14-24(26(17-19)40(37,38)33-15-6-3-7-16-33)31-27(35)18-39-29-32-23-11-5-4-9-21(23)28(36)34(29)25-12-8-10-22(30)20(25)2/h4-5,8-14,17H,3,6-7,15-16,18H2,1-2H3,(H,31,35)