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

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H32N4O3S/c1-16(2)21(29)26-14-11-17(12-15-26)24-20(28)10-4-3-7-13-27-22(30)18-8-5-6-9-19(18)25-23(27)31/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,24,28)(H,25,31)