3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C24H20N6OS2 MolecularWeight: 472.5852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)NCCC5=CC=CS5

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)NCCC5=CC=CS5

InChI

InChI=1S/C24H20N6OS2/c31-23(25-10-8-19-5-2-12-32-19)16-3-1-4-17(13-16)29-24-26-11-9-22(30-24)28-18-6-7-20-21(14-18)33-15-27-20/h1-7,9,11-15H,8,10H2,(H,25,31)(H2,26,28,29,30)