5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C22H19ClN4OS2 MolecularWeight: 454.99546

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C22H19ClN4OS2/c1-3-10-29-22-24-12-16(23)19(27-22)20(28)25-15-7-5-14(6-8-15)21-26-17-9-4-13(2)11-18(17)30-21/h4-9,11-12H,3,10H2,1-2H3,(H,25,28)