methyl 2-[[(phenylmethyl)-propyl-carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[(phenylmethyl)-propyl-carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[benzyl(propyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(phenylmethyl)-propylamino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[benzyl(propyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[benzyl(propyl)thiocarbamoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O2S2/c1-3-11-23(13-14-7-5-4-6-8-14)20(26)22-19-21-16-10-9-15(18(24)25-2)12-17(16)27-19/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,26)