(2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide

Systemtic Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide Openeye Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide CAS Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]butanamide IUPAC Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide Traditional Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]butyramide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=O)C=C(N3)C

Isomeric SMILES

CC[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=O)C=C(N3)C

InChI

InChI=1S/C18H20N4O3S2/c1-4-13(26-17-19-10(3)8-15(23)21-17)16(24)22-18-20-12-7-6-11(25-5-2)9-14(12)27-18/h6-9,13H,4-5H2,1-3H3,(H,19,21,23)(H,20,22,24)/t13-/m1/s1