5-bromanyl-N-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]carbothioyl-pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]carbothioyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]nicotinamide Formula: C20H18BrN5OS2 MolecularWeight: 488.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H18BrN5OS2/c21-16-10-15(11-22-12-16)18(27)24-19(28)25-6-8-26(9-7-25)20-23-17(13-29-20)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,24,27,28)