2-[(3-ethoxy-4-methoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(3-ethoxy-4-methoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(3-ethoxy-4-methoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(3-ethoxy-4-methoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(3-ethoxy-4-methoxy-phenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-26-18-14-15(8-9-17(18)25-2)20(24-12-10-22-11-13-24)21-23-16-6-4-5-7-19(16)27-21/h4-9,14,20,22H,3,10-13H2,1-2H3