methyl 2-[(4-ethoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-ethoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-ethoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxyphenyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(p-phenetylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O3S2/c1-3-24-13-7-5-12(6-8-13)19-17(25)21-18-20-14-9-4-11(16(22)23-2)10-15(14)26-18/h4-10H,3H2,1-2H3,(H2,19,20,21,25)