2-[[4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl]sulfanylsulfinylamino]-1,3-thiazole

Systemtic Name: 2-[[4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl]sulfanylsulfinylamino]-1,3-thiazole Openeye Name: 2-[[4-[[(1-formyl-3-methylsulfanyl-propyl)amino]carbamoyl]-3-phenyl-phenyl]sulfanylsulfinylamino]thiazole CAS Name: 2-[[[4-[[[4-(methylthio)-1-oxobutan-2-yl]hydrazo]-oxomethyl]-3-phenylphenyl]thio]sulfinylamino]thiazole IUPAC Name: 2-[[4-[[(4-methylsulfanyl-1-oxobutan-2-yl)amino]carbamoyl]-3-phenylphenyl]sulfanylsulfinylamino]-1,3-thiazole Traditional Name: 2-[[[4-[[[1-formyl-3-(methylthio)propyl]amino]carbamoyl]-3-phenyl-phenyl]thio]sulfinylamino]thiazole Formula: C21H22N4O3S4 MolecularWeight: 506.68438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S4/c1-29-11-9-16(14-26)23-24-20(27)18-8-7-17(13-19(18)15-5-3-2-4-6-15)31-32(28)25-21-22-10-12-30-21/h2-8,10,12-14,16,23H,9,11H2,1H3,(H,22,25)(H,24,27)