N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H26N6O3S/c30-20(26-16-9-10-19(25-14-16)28-13-11-24-21(31)15-28)8-2-1-5-12-29-22(32)17-6-3-4-7-18(17)27-23(29)33/h3-4,6-7,9-10,14H,1-2,5,8,11-13,15H2,(H,24,31)(H,26,30)(H,27,33)