2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-(2-phthalimidopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4S/c1-10-7-8-14-15(9-10)29-19(16(14)17(22)25)23-18(26)11(2)24-20(27)12-5-3-4-6-13(12)21(24)28/h3-6,10-11H,7-9H2,1-2H3,(H2,22,25)(H,23,26)