(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C16H18N3OS3+ MolecularWeight: 364.52862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

Isomeric SMILES

CCN(CC)C(=S)SCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

InChI

InChI=1S/C16H17N3OS3/c1-3-18(4-2)16(21)22-10-11-9-14(20)19-12-7-5-6-8-13(12)23-15(19)17-11/h5-9H,3-4,10H2,1-2H3/p+1