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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-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=CC(=C(C=C4)C)Cl)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

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