[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C23H28N4O3S3 MolecularWeight: 504.68842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C23H28N4O3S3/c1-16-13-17(2)21-19(14-16)32-23(24-21)26-10-8-25(9-11-26)22(28)18-5-3-7-27(15-18)33(29,30)20-6-4-12-31-20/h4,6,12-14,18H,3,5,7-11,15H2,1-2H3