5-chloranyl-3-[2-(4-nitroso-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one

Systemtic Name: 5-chloranyl-3-[2-(4-nitroso-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one Openeye Name: 5-chloro-3-[2-(4-nitroso-1,4-diazepan-1-yl)-2-oxo-ethyl]-1,3-benzothiazol-2-one CAS Name: 5-chloro-3-[2-(4-nitroso-1,4-diazepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 5-chloro-3-[2-(4-nitroso-1,4-diazepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one Traditional Name: 5-chloro-3-[2-keto-2-(4-nitroso-1,4-diazepan-1-yl)ethyl]-1,3-benzothiazol-2-one Formula: C14H15ClN4O3S MolecularWeight: 354.8119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)N=O)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O

Isomeric SMILES

C1CN(CCN(C1)N=O)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O

InChI

InChI=1S/C14H15ClN4O3S/c15-10-2-3-12-11(8-10)19(14(21)23-12)9-13(20)17-4-1-5-18(16-22)7-6-17/h2-3,8H,1,4-7,9H2