(5E)-6,6-dimethyl-1-(4-methylpiperazin-1-yl)carbonyl-3-methylsulfanyl-5-(oxidanylmethylidene)-7H-2-benzothiophen-4-one

Systemtic Name: (5E)-6,6-dimethyl-1-(4-methylpiperazin-1-yl)carbonyl-3-methylsulfanyl-5-(oxidanylmethylidene)-7H-2-benzothiophen-4-one Openeye Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-1-(4-methylpiperazine-1-carbonyl)-3-methylsulfanyl-7H-2-benzothiophen-4-one CAS Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-1-[(4-methyl-1-piperazinyl)-oxomethyl]-3-(methylthio)-7H-2-benzothiophen-4-one IUPAC Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-1-(4-methylpiperazine-1-carbonyl)-3-methylsulfanyl-7H-2-benzothiophen-4-one Traditional Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-1-(4-methylpiperazine-1-carbonyl)-3-(methylthio)-7H-isobenzothiophen-4-one Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1=CO)SC)C(=O)N3CCN(CC3)C)C

Isomeric SMILES

CC\1(CC2=C(SC(=C2C(=O)/C1=C/O)SC)C(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C18H24N2O3S2/c1-18(2)9-11-13(14(22)12(18)10-21)17(24-4)25-15(11)16(23)20-7-5-19(3)6-8-20/h10,21H,5-9H2,1-4H3/b12-10-