2-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26Cl2N4O3S2 MolecularWeight: 565.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H26Cl2N4O3S2/c1-13-2-4-15-17(10-13)36-24(20(15)23(28)33)29-19(32)12-30-6-8-31(9-7-30)25(34)22-21(27)16-5-3-14(26)11-18(16)35-22/h3,5,11,13H,2,4,6-10,12H2,1H3,(H2,28,33)(H,29,32)