[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-(4-ethoxy-3-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(4-ethoxy-3-methoxy-phenyl)methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O3S/c1-3-28-18-9-8-16(14-19(18)27-2)22(26)25-12-10-24(11-13-25)15-21-23-17-6-4-5-7-20(17)29-21/h4-9,14H,3,10-13,15H2,1-2H3