N-(4-chloranyl-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)-4-pyrimidinyl]-2-thiophenecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Formula: C17H12ClN5OS2 MolecularWeight: 401.89308

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CC=C(S2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CC=C(S2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C17H12ClN5OS2/c1-19-16-20-8-7-10(21-16)11-5-6-13(25-11)15(24)23-17-22-14-9(18)3-2-4-12(14)26-17/h2-8H,1H3,(H,19,20,21)(H,22,23,24)