N-butyl-2-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazino]acetamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C24H35N5O3S/c1-2-3-12-25-21(30)18-27-14-16-28(17-15-27)22(31)11-5-4-8-13-29-23(32)19-9-6-7-10-20(19)26-24(29)33/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,25,30)(H,26,33)