[4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl] N-(1,3-thiazol-2-yl)carbamodithioate

Systemtic Name: [4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl] N-(1,3-thiazol-2-yl)carbamodithioate Openeye Name: [4-[[(1-formyl-3-methylsulfanyl-propyl)amino]carbamoyl]-3-phenyl-phenyl] N-thiazol-2-ylcarbamodithioate CAS Name: N-(2-thiazolyl)carbamodithioic acid [4-[[[4-(methylthio)-1-oxobutan-2-yl]hydrazo]-oxomethyl]-3-phenylphenyl] ester IUPAC Name: [4-[[(4-methylsulfanyl-1-oxobutan-2-yl)amino]carbamoyl]-3-phenylphenyl] N-(1,3-thiazol-2-yl)carbamodithioate Traditional Name: N-thiazol-2-ylcarbamodithioic acid [4-[[[1-formyl-3-(methylthio)propyl]amino]carbamoyl]-3-phenyl-phenyl] ester Formula: C22H22N4O2S4 MolecularWeight: 502.69568

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C=O)NNC(=O)C1=C(C=C(C=C1)SC(=S)NC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C=O)NNC(=O)C1=C(C=C(C=C1)SC(=S)NC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S4/c1-30-11-9-16(14-27)25-26-20(28)18-8-7-17(13-19(18)15-5-3-2-4-6-15)32-22(29)24-21-23-10-12-31-21/h2-8,10,12-14,16,25H,9,11H2,1H3,(H,26,28)(H,23,24,29)