3-[(3-bromophenyl)methyl]-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-[(3-bromophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(3-bromobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22BrN3O2S2 MolecularWeight: 540.49508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H22BrN3O2S2/c26-20-8-4-7-18(13-20)15-29-24(31)21-10-9-19(14-22(21)28-25(29)32)23(30)27-11-12-33-16-17-5-2-1-3-6-17/h1-10,13-14H,11-12,15-16H2,(H,27,30)(H,28,32)