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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CN=CC=C4

InChI

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