N-(1,3-benzothiazol-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzamide Formula: C22H16N4OS3 MolecularWeight: 448.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C22H16N4OS3/c1-12-13(2)28-20-18(12)21(24-11-23-20)29-16-9-5-3-7-14(16)19(27)26-22-25-15-8-4-6-10-17(15)30-22/h3-11H,1-2H3,(H,25,26,27)