2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H13ClN6O4S2 MolecularWeight: 488.92732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C19H13ClN6O4S2/c20-10-1-3-11(4-2-10)25-15(21)8-16(27)24-19(25)31-9-17(28)23-18-22-13-7-12(26(29)30)5-6-14(13)32-18/h1-8H,9,21H2,(H,22,23,28)