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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-prop-2-enamide hydrochloride Openeye Name: N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide hydrochloride CAS Name: N-[3-(1-imidazolyl)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-2-propenamide hydrochloride IUPAC Name: N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide hydrochloride Traditional Name: N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylamide hydrochloride Formula: C21H21ClN4OS2 MolecularWeight: 445.00064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS2.ClH/c1-16-5-2-7-18-20(16)23-21(28-18)25(12-4-11-24-13-10-22-15-24)19(26)9-8-17-6-3-14-27-17;/h2-3,5-10,13-15H,4,11-12H2,1H3;1H