2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S2/c26-18-12-17(25(20(28)24-18)11-10-14-6-2-1-3-7-14)23-19(27)13-29-21-22-15-8-4-5-9-16(15)30-21/h1-9,12H,10-11,13H2,(H,23,27)(H,24,26,28)