[2-(methylamino)-3-propan-2-ylsulfonyl-2-sulfanyl-1H-benzimidazol-5-yl]-phenyl-methanone

Systemtic Name: [2-(methylamino)-3-propan-2-ylsulfonyl-2-sulfanyl-1H-benzimidazol-5-yl]-phenyl-methanone Openeye Name: [3-isopropylsulfonyl-2-(methylamino)-2-sulfanyl-1H-benzimidazol-5-yl]-phenyl-methanone CAS Name: [2-mercapto-2-(methylamino)-3-propan-2-ylsulfonyl-1H-benzimidazol-5-yl]-phenylmethanone IUPAC Name: [2-(methylamino)-3-propan-2-ylsulfonyl-2-sulfanyl-1H-benzimidazol-5-yl]-phenylmethanone Traditional Name: [3-isopropylsulfonyl-2-mercapto-2-(methylamino)-1H-benzimidazol-5-yl]-phenyl-methanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)NC1(NC)S

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)NC1(NC)S

InChI

InChI=1S/C18H21N3O3S2/c1-12(2)26(23,24)21-16-11-14(17(22)13-7-5-4-6-8-13)9-10-15(16)20-18(21,25)19-3/h4-12,19-20,25H,1-3H3