N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[1-(2,2-dimethylpropanoyl)-4-piperidyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(1-pivaloyl-4-piperidyl)propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)19(28)24-11-8-14(9-12-24)22-17(26)10-13-25-18(27)15-6-4-5-7-16(15)23-20(25)29/h4-7,14H,8-13H2,1-3H3,(H,22,26)(H,23,29)