3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O4S2/c1-24-17(23)14-12-7-2-3-8-13(12)26-15(14)20-18(25)19-11-6-4-5-10(9-11)16(21)22/h4-6,9H,2-3,7-8H2,1H3,(H,21,22)(H2,19,20,25)