N'-(1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenoxy-phenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenoxy-phenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenoxy-phenyl)methyl]ethane-1,2-diamine CAS Name: N'-(1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenoxyphenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenoxyphenyl)methyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-(1,3-benzothiazol-2-yl)-(3-methoxy-4-phenoxy-benzyl)amine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CCN)C2=NC3=CC=CC=C3S2)OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CCN)C2=NC3=CC=CC=C3S2)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S/c1-27-21-15-17(11-12-20(21)28-18-7-3-2-4-8-18)16-26(14-13-24)23-25-19-9-5-6-10-22(19)29-23/h2-12,15H,13-14,16,24H2,1H3