N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(1-imidazolyl)propyl]benzamide hydrochloride IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-cyano-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Formula: C22H19Cl2N5O2S MolecularWeight: 488.38956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C22H18ClN5O2S.ClH/c1-30-18-8-7-17(23)20-19(18)26-22(31-20)28(11-2-10-27-12-9-25-14-27)21(29)16-5-3-15(13-24)4-6-16;/h3-9,12,14H,2,10-11H2,1H3;1H