N-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4OS2/c1-13-4-9-18-17(11-13)24-20(28-18)14-5-7-16(8-6-14)23-21(27)25-19(26)15-3-2-10-22-12-15/h2-12H,1H3,(H2,23,25,26,27)