N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-27-15-7-8-16-18(11-15)29-21(24-16)25-19(26)9-10-28-20-12-17(22-13-23-20)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,24,25,26)