N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-thiophen-2-yl-prop-2-enamide hydrochloride

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-thiophen-2-yl-prop-2-enamide hydrochloride Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(2-thienyl)prop-2-enamide hydrochloride CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-thiophen-2-yl-2-propenamide hydrochloride IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-thiophen-2-ylprop-2-enamide hydrochloride Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(2-thienyl)acrylamide hydrochloride Formula: C22H23ClN4OS2 MolecularWeight: 459.02722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCCN3C=CN=C3)C(=O)C=CC4=CC=CS4.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCCN3C=CN=C3)C(=O)C=CC4=CC=CS4.Cl

InChI

InChI=1S/C22H22N4OS2.ClH/c1-16-6-7-17(2)21-20(16)24-22(29-21)26(12-4-11-25-13-10-23-15-25)19(27)9-8-18-5-3-14-28-18;/h3,5-10,13-15H,4,11-12H2,1-2H3;1H