1-(1-adamantyl)-3-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)amino]thiourea Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O3S3/c1-30(26,27)19-16-5-3-2-4-15(16)17(29-19)18(25)23-24-20(28)22-21-9-12-6-13(10-21)8-14(7-12)11-21/h3,5,12-14H,2,4,6-11H2,1H3,(H,23,25)(H2,22,24,28)