1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanoyl]piperazin-1-yl]-7-sulfanylidene-octan-1-one

Systemtic Name: 1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanoyl]piperazin-1-yl]-7-sulfanylidene-octan-1-one Openeye Name: 1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazin-1-yl]-7-thioxo-octan-1-one CAS Name: 1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxoethyl]-1-piperazinyl]-7-sulfanylidene-1-octanone IUPAC Name: 1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazin-1-yl]-7-sulfanylideneoctan-1-one Traditional Name: 1-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazino]-7-thioxo-octan-1-one Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NCC(=O)N3CCN(CC3)C(=O)CCCCCC(=S)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NCC(=O)N3CCN(CC3)C(=O)CCCCCC(=S)C

InChI

InChI=1S/C22H30N4O2S2/c1-16-8-9-18-19(14-16)30-22(24-18)23-15-21(28)26-12-10-25(11-13-26)20(27)7-5-3-4-6-17(2)29/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,24)