[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone

Systemtic Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone Openeye Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone CAS Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-pentoxyphenyl)methanone IUPAC Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone Traditional Name: (3-amoxyphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)CC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)CC

InChI

InChI=1S/C25H31N3O2S/c1-3-5-6-16-30-21-9-7-8-20(18-21)24(29)27-12-14-28(15-13-27)25-26-22-11-10-19(4-2)17-23(22)31-25/h7-11,17-18H,3-6,12-16H2,1-2H3