methyl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-naphthoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15N3O3S2/c1-27-19(26)13-9-10-16-17(11-13)29-21(22-16)24-20(28)23-18(25)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H2,22,23,24,25,28)