3a,7a-dihydro-1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioate

Systemtic Name: 3a,7a-dihydro-1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioate Openeye Name: 3a,7a-dihydro-1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioate CAS Name: N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioic acid [[(3a,7a-dihydro-1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]thio] ester IUPAC Name: 3a,7a-dihydro-1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioate Traditional Name: N-(3a,7a-dihydro-1,3-benzothiazol-2-yl)carbamodithioic acid (3a,7a-dihydro-1,3-benzothiazol-2-ylthiocarbamoylthio) ester Formula: C16H14N4S6 MolecularWeight: 454.69916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)SC(=N2)NC(=S)SSC(=S)NC3=NC4C=CC=CC4S3

Isomeric SMILES

C1=CC2C(C=C1)SC(=N2)NC(=S)SSC(=S)NC3=NC4C=CC=CC4S3

InChI

InChI=1S/C16H14N4S6/c21-15(19-13-17-9-5-1-3-7-11(9)23-13)25-26-16(22)20-14-18-10-6-2-4-8-12(10)24-14/h1-12H,(H,17,19,21)(H,18,20,22)