1-[[3-[(3-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-[(3-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-[(3-bromophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3-bromobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN4O3S/c23-16-3-1-2-13(10-16)12-27-21(30)17-5-4-15(11-18(17)25-22(27)31)20(29)26-8-6-14(7-9-26)19(24)28/h1-5,10-11,14H,6-9,12H2,(H2,24,28)(H,25,31)