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

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-(4-butoxy-3-methoxyphenyl)methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(4-butoxy-3-methoxy-phenyl)methanone Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-4-5-16-31-21-11-10-19(17-22(21)30-3)25(29)28-14-12-27(13-15-28)18(2)24-26-20-8-6-7-9-23(20)32-24/h6-11,17-18H,4-5,12-16H2,1-3H3