ethyl 4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c1-2-28-21(27)25-11-9-24(10-12-25)18(26)14-30-20-15-6-3-4-7-16(15)22-19(23-20)17-8-5-13-29-17/h3-8,13H,2,9-12,14H2,1H3