methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxycarbonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperazine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H20N4O4S2/c1-3-25-17(23)21-8-6-20(7-9-21)16(26)19-15-18-12-5-4-11(14(22)24-2)10-13(12)27-15/h4-5,10H,3,6-9H2,1-2H3,(H,18,19,26)