N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methyl]benzamide hydrochloride

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methyl]benzamide hydrochloride Openeye Name: 4-[(allylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methyl]benzamide hydrochloride IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methyl]benzamide hydrochloride Traditional Name: 4-[(allylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCC=C.Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCC=C.Cl

InChI

InChI=1S/C25H23N3O2S.ClH/c1-3-15-26-16-17-9-11-19(12-10-17)24(29)28-25-27-22-21(30-2)14-13-20(23(22)31-25)18-7-5-4-6-8-18;/h3-14,26H,1,15-16H2,2H3,(H,27,28,29);1H