methyl 2-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[3-[diethylamino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H26N4O3S2/c1-4-23(5-2)17(25)14-7-6-10-24(12-14)20(28)22-19-21-15-9-8-13(18(26)27-3)11-16(15)29-19/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,21,22,28)