(4-butoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C25H31N3O2S/c1-4-5-17-30-20-11-9-19(10-12-20)24(29)27-13-15-28(16-14-27)25-26-23-21(18(2)3)7-6-8-22(23)31-25/h6-12,18H,4-5,13-17H2,1-3H3