methyl 2-[(3-methoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-methoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(m-anisoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H15N3O4S2/c1-24-12-5-3-4-10(8-12)15(22)20-17(26)21-18-19-13-7-6-11(16(23)25-2)9-14(13)27-18/h3-9H,1-2H3,(H2,19,20,21,22,26)