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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetamide Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O3S2/c1-29-15-4-2-3-12(7-15)11-30-20-23-14(9-18(27)25-20)10-19(28)26-21-24-16-6-5-13(22)8-17(16)31-21/h2-9H,10-11H2,1H3,(H,23,25,27)(H,24,26,28)