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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N,N-diethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N,N-diethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N,N-diethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N,N-diethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N,N-diethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-3-23(4-2)18(25)14-8-9-16-17(11-14)22-20(27)24(19(16)26)12-13-6-5-7-15(21)10-13/h5-11H,3-4,12H2,1-2H3,(H,22,27)