3-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN2O4S2/c1-9-3-4-10(17(23)24)7-13(9)22-19(27)21-11-5-6-12-14(8-11)28-16(15(12)20)18(25)26-2/h3-8H,1-2H3,(H,23,24)(H2,21,22,27)