3-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-2-methyl-butyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-2-methyl-butyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-2-methyl-butyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[4-[(2-methoxy-1-cyclohexa-1,3-dienyl)oxy]-2-methylbutyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-2-methylbutyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-2-methyl-butyl]piperazino]-1,2-benzothiazole Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=CCC1)OC)CN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(CCOC1=C(C=CCC1)OC)CN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H31N3O2S/c1-18(11-16-28-21-9-5-4-8-20(21)27-2)17-25-12-14-26(15-13-25)23-19-7-3-6-10-22(19)29-24-23/h3-4,6-8,10,18H,5,9,11-17H2,1-2H3