N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide Formula: C20H15ClN4O2S2 MolecularWeight: 442.9417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4O2S2/c21-13-6-7-15-16(8-13)29-20(23-15)25-18(27)10-14-9-17(26)24-19(22-14)28-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24,26)(H,23,25,27)