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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)(C)C3=CC=C(C=C3)Br)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)(C)C3=CC=C(C=C3)Br)NC1=S

InChI

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