2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[4-morpholinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)N3CCOCC3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)N3CCOCC3)C(=O)O

InChI

InChI=1S/C14H18N2O3S2/c17-13(18)11-9-3-1-2-4-10(9)21-12(11)15-14(20)16-5-7-19-8-6-16/h1-8H2,(H,15,20)(H,17,18)