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

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: (4-isopropoxyphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]methanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C22H25N3O2S2/c1-15(2)27-17-9-7-16(8-10-17)21(26)24-11-13-25(14-12-24)22-23-20-18(28-3)5-4-6-19(20)29-22/h4-10,15H,11-14H2,1-3H3