4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(6-acetamido-3-pyridazinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(6-acetamidopyridazin-3-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=NN=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=NN=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H19N5O2S2/c1-11-5-6-13-14(10-11)27-18(20-13)21-16(25)4-3-9-26-17-8-7-15(22-23-17)19-12(2)24/h5-8,10H,3-4,9H2,1-2H3,(H,19,22,24)(H,20,21,25)