5-chloranyl-3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-1,3-benzothiazol-2-one

Systemtic Name: 5-chloranyl-3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-1,3-benzothiazol-2-one Openeye Name: 5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxo-ethyl]-6-phenyl-1,3-benzothiazol-2-one CAS Name: 5-chloro-3-[2-(4-nitroso-1-piperazinyl)-2-oxoethyl]-6-phenyl-1,3-benzothiazol-2-one IUPAC Name: 5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-6-phenyl-1,3-benzothiazol-2-one Traditional Name: 5-chloro-3-[2-keto-2-(4-nitrosopiperazino)ethyl]-6-phenyl-1,3-benzothiazol-2-one Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C(=C3)Cl)C4=CC=CC=C4)SC2=O)N=O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C(=C3)Cl)C4=CC=CC=C4)SC2=O)N=O

InChI

InChI=1S/C19H17ClN4O3S/c20-15-11-16-17(10-14(15)13-4-2-1-3-5-13)28-19(26)24(16)12-18(25)22-6-8-23(21-27)9-7-22/h1-5,10-11H,6-9,12H2