4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride

Systemtic Name: 4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride Openeye Name: 4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride CAS Name: 4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride IUPAC Name: 4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride Traditional Name: 4-(aminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide hydrochloride Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S.ClH/c1-27-18-12-11-17(15-5-3-2-4-6-15)20-19(18)24-22(28-20)25-21(26)16-9-7-14(13-23)8-10-16;/h2-12H,13,23H2,1H3,(H,24,25,26);1H