1-methyl-3-[[(4R)-3-methylsulfanyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[[(4R)-3-methylsulfanyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]carbonylamino]thiourea Openeye Name: 1-[[(4R)-4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl]amino]-3-methyl-thiourea CAS Name: 1-[[[(4R)-4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[[(4R)-4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl]amino]-3-methylthiourea Traditional Name: 1-[[(4R)-4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl]amino]-3-methyl-thiourea Formula: C12H17N3O2S3 MolecularWeight: 331.47728

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=C2CCCC(C2=C(S1)SC)O

Isomeric SMILES

CNC(=S)NNC(=O)C1=C2CCC[C@H](C2=C(S1)SC)O

InChI

InChI=1S/C12H17N3O2S3/c1-13-12(18)15-14-10(17)9-6-4-3-5-7(16)8(6)11(19-2)20-9/h7,16H,3-5H2,1-2H3,(H,14,17)(H2,13,15,18)/t7-/m1/s1