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

Systemtic Name: 3-[2-(4-azanyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-5-chloranyl-1,3-benzothiazol-2-one hydrochloride Openeye Name: 3-[2-(4-amino-1,4-diazepan-1-yl)-2-oxo-ethyl]-5-chloro-1,3-benzothiazol-2-one hydrochloride CAS Name: 3-[2-(4-amino-1,4-diazepan-1-yl)-2-oxoethyl]-5-chloro-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 3-[2-(4-amino-1,4-diazepan-1-yl)-2-oxoethyl]-5-chloro-1,3-benzothiazol-2-one hydrochloride Traditional Name: 3-[2-(4-amino-1,4-diazepan-1-yl)-2-keto-ethyl]-5-chloro-1,3-benzothiazol-2-one hydrochloride Formula: C14H18Cl2N4O2S MolecularWeight: 377.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O2S.ClH/c15-10-2-3-12-11(8-10)19(14(21)22-12)9-13(20)17-4-1-5-18(16)7-6-17;/h2-3,8H,1,4-7,9,16H2;1H