4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)-4-piperidinyl]butanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C24H27BrN4O2S/c25-18-8-9-21-20(15-18)23(31)29(24(32)27-21)12-4-7-22(30)26-19-10-13-28(14-11-19)16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2,(H,26,30)(H,27,32)