[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C22H24N4OS3 MolecularWeight: 456.64716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC(=S)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC(=S)N4CCN(CC4)C

InChI

InChI=1S/C22H24N4OS3/c1-15-3-8-18-19(13-15)30-21(24-18)16-4-6-17(7-5-16)23-20(27)14-29-22(28)26-11-9-25(2)10-12-26/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)