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

Systemtic Name: 1-[4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethanoyl]piperazin-1-yl]-6-sulfanylidene-heptan-1-one Openeye Name: 1-[4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazin-1-yl]-6-thioxo-heptan-1-one CAS Name: 1-[4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxoethyl]-1-piperazinyl]-6-sulfanylidene-1-heptanone IUPAC Name: 1-[4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazin-1-yl]-6-sulfanylideneheptan-1-one Traditional Name: 1-[4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetyl]piperazino]-6-thioxo-heptan-1-one Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NCC(=O)N3CCN(CC3)C(=O)CCCCC(=S)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NCC(=O)N3CCN(CC3)C(=O)CCCCC(=S)C

InChI

InChI=1S/C21H28N4O2S2/c1-15-6-5-8-17-20(15)23-21(29-17)22-14-19(27)25-12-10-24(11-13-25)18(26)9-4-3-7-16(2)28/h5-6,8H,3-4,7,9-14H2,1-2H3,(H,22,23)