methyl 6-methyl-2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)C(=O)C4CCCO4

InChI

InChI=1S/C21H29N3O4S2/c1-13-5-6-14-16(12-13)30-18(17(14)20(26)27-2)22-21(29)24-9-7-23(8-10-24)19(25)15-4-3-11-28-15/h13,15H,3-12H2,1-2H3,(H,22,29)