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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]nicotinamide Formula: C20H13ClN4OS2 MolecularWeight: 424.92642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C20H13ClN4OS2/c21-15-8-7-13(23-20(27)25-18(26)12-4-3-9-22-11-12)10-14(15)19-24-16-5-1-2-6-17(16)28-19/h1-11H,(H2,23,25,26,27)