2-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(3,4-diethoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3,4-diethoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(3,4-diethoxyphenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC

InChI

InChI=1S/C22H27N3O2S/c1-3-26-18-10-9-16(15-19(18)27-4-2)21(25-13-11-23-12-14-25)22-24-17-7-5-6-8-20(17)28-22/h5-10,15,21,23H,3-4,11-14H2,1-2H3