N-[[3-(2,1,3-benzothiadiazol-5-yl)-4-methoxy-phenyl]methyl]-1-phenyl-ethanamine

Systemtic Name: N-[[3-(2,1,3-benzothiadiazol-5-yl)-4-methoxy-phenyl]methyl]-1-phenyl-ethanamine Openeye Name: N-[[3-(2,1,3-benzothiadiazol-5-yl)-4-methoxy-phenyl]methyl]-1-phenyl-ethanamine CAS Name: N-[[3-(2,1,3-benzothiadiazol-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine IUPAC Name: N-[[3-(2,1,3-benzothiadiazol-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine Traditional Name: (4-methoxy-3-piazthiol-5-yl-benzyl)-(1-phenylethyl)amine Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H21N3OS/c1-15(17-6-4-3-5-7-17)23-14-16-8-11-22(26-2)19(12-16)18-9-10-20-21(13-18)25-27-24-20/h3-13,15,23H,14H2,1-2H3