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

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N'-[(4-cyclopentyloxy-3-methoxy-phenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(1,3-benzothiazol-2-yl)-N'-[[4-(cyclopentoxy)-3-methoxy-phenyl]methyl]ethane-1,2-diamine CAS Name: N'-(1,3-benzothiazol-2-yl)-N'-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N'-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-(1,3-benzothiazol-2-yl)-[4-(cyclopentoxy)-3-methoxy-benzyl]amine Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CCN)C2=NC3=CC=CC=C3S2)OC4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CCN)C2=NC3=CC=CC=C3S2)OC4CCCC4

InChI

InChI=1S/C22H27N3O2S/c1-26-20-14-16(10-11-19(20)27-17-6-2-3-7-17)15-25(13-12-23)22-24-18-8-4-5-9-21(18)28-22/h4-5,8-11,14,17H,2-3,6-7,12-13,15,23H2,1H3