4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]butanamide

Systemtic Name: 4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]butanamide Openeye Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]butanamide CAS Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]butanamide IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]butanamide Traditional Name: 4-(2,4-diketo-1H-quinazolin-3-yl)-N-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]butyramide Formula: C27H28N4O5S2 MolecularWeight: 552.66502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

C1C(CNC1C(NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C27H28N4O5S2/c32-24(10-5-13-31-26(33)21-8-3-4-9-22(21)29-27(31)34)30-25(23-15-19(37)16-28-23)38(35,36)20-12-11-17-6-1-2-7-18(17)14-20/h1-4,6-9,11-12,14,19,23,25,28,37H,5,10,13,15-16H2,(H,29,34)(H,30,32)