3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(6-butyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N=C(N=C3C)SCC(=O)N)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N=C(N=C3C)SCC(=O)N)C

InChI

InChI=1S/C22H27N5O2S2/c1-4-5-6-15-7-9-17-18(11-15)31-22(26-17)27-20(29)10-8-16-13(2)24-21(25-14(16)3)30-12-19(23)28/h7,9,11H,4-6,8,10,12H2,1-3H3,(H2,23,28)(H,26,27,29)