methyl 2-[[(4-methoxyphenyl)-methyl-carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[(4-methoxyphenyl)-methyl-carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[(4-methoxyphenyl)-methyl-carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-methoxy-N-methylanilino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methoxyphenyl)-methylcarbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(4-methoxyphenyl)-methyl-thiocarbamoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-21(12-5-7-13(23-2)8-6-12)18(25)20-17-19-14-9-4-11(16(22)24-3)10-15(14)26-17/h4-10H,1-3H3,(H,19,20,25)