[5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl N,N-diethylcarbamodithioate

Systemtic Name: [5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl N,N-diethylcarbamodithioate Openeye Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [5-(4-bromophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H18BrN3OS3 MolecularWeight: 468.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)N1

Isomeric SMILES

CCN(CC)C(=S)SCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)N1

InChI

InChI=1S/C18H18BrN3OS3/c1-3-22(4-2)18(24)26-10-14-20-16(23)15-13(9-25-17(15)21-14)11-5-7-12(19)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,20,21,23)