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

Systemtic Name: 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate Openeye Name: 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate CAS Name: N-(1,3-benzothiazol-2-yl)carbamodithioic acid [[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]thio] ester IUPAC Name: 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate Traditional Name: N-(1,3-benzothiazol-2-yl)carbamodithioic acid (1,3-benzothiazol-2-ylthiocarbamoylthio) ester Formula: C16H10N4S6 MolecularWeight: 450.6674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=S)SSC(=S)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=S)SSC(=S)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H10N4S6/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/h1-8H,(H,17,19,21)(H,18,20,22)