3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H12Cl2N2O3S2 MolecularWeight: 439.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O3S2/c1-8-2-3-9(17(24)25)6-12(8)21-18(26)22-16(23)15-14(20)11-5-4-10(19)7-13(11)27-15/h2-7H,1H3,(H,24,25)(H2,21,22,23,26)