4-[[cyclopropyl-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[cyclopropyl-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]amino]methyl]-N-methyl-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C26H30N4O3S/c1-27-24(32)19-12-10-18(11-13-19)17-30(20-14-15-20)23(31)9-3-2-6-16-29-25(33)21-7-4-5-8-22(21)28-26(29)34/h4-5,7-8,10-13,20H,2-3,6,9,14-17H2,1H3,(H,27,32)(H,28,34)