methyl 4-(4H-indeno[1,2-d][1,3]thiazol-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(4H-indeno[1,2-d][1,3]thiazol-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(4H-indeno[1,2-d]thiazol-2-ylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[(4H-indeno[1,2-d]thiazol-2-ylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4H-indeno[1,2-d][1,3]thiazol-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(4H-indeno[1,2-d]thiazol-2-ylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CC4=CC=CC=C43

InChI

InChI=1S/C20H15N3O3S2/c1-26-18(25)12-8-6-11(7-9-12)17(24)22-19(27)23-20-21-16-14-5-3-2-4-13(14)10-15(16)28-20/h2-9H,10H2,1H3,(H2,21,22,23,24,27)