N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-isopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-isopropylquinazolin-4-yl)thio]acetamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C22H22N4O2S2/c1-4-28-14-9-10-17-18(11-14)30-22(24-17)25-19(27)12-29-21-15-7-5-6-8-16(15)23-20(26-21)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,24,25,27)