N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C21H17ClN4OS2 MolecularWeight: 440.96888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4OS2/c1-2-17(20(27)26-21-25-15-9-8-14(22)10-18(15)29-21)28-19-11-16(23-12-24-19)13-6-4-3-5-7-13/h3-12,17H,2H2,1H3,(H,25,26,27)