[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H19N3O3S3/c23-18-16-8-4-5-9-17(16)28(24,25)22(18)14-27-19(26)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-9H,10-14H2