[2-oxidanylidene-2-[(4-oxidanylidene-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(4-oxidanylidene-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-oxo-2-[(4-oxo-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [2-oxo-2-[(4-oxo-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-oxo-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-keto-2-[(4-keto-1,3-benzothiazin-3-ium-2-yl)amino]ethyl] ester Formula: C21H21N4O2S3+ MolecularWeight: 457.61204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=[NH+]C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=[NH+]C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S3/c26-18(22-20-23-19(27)16-8-4-5-9-17(16)30-20)14-29-21(28)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,23,26,27)/p+1