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

Systemtic Name: 4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20N2O4S2/c1-10-3-8-13-14(9-10)27-16(15(13)18(24)25-2)21-19(26)20-12-6-4-11(5-7-12)17(22)23/h4-7,10H,3,8-9H2,1-2H3,(H,22,23)(H2,20,21,26)