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

Systemtic Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-methoxyphenyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c1-22-12-5-3-4-11(9-12)18-16(24)20-17-19-13-7-6-10(15(21)23-2)8-14(13)25-17/h3-9H,1-2H3,(H2,18,19,20,24)