[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-keto-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H26N4OS3 MolecularWeight: 446.65234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS3/c1-15-7-8-17-18(13-15)29-20(22-17)23-19(26)14-28-21(27)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,22,23,26)