2-[(4-methylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(p-tolylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(4-methylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(p-tolylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C17H18N2O2S2/c1-10-6-8-11(9-7-10)18-17(22)19-15-14(16(20)21)12-4-2-3-5-13(12)23-15/h6-9H,2-5H2,1H3,(H,20,21)(H2,18,19,22)