butyl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-naphthoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O3S2/c1-2-3-13-30-22(29)16-11-12-19-20(14-16)32-24(25-19)27-23(31)26-21(28)18-10-6-8-15-7-4-5-9-17(15)18/h4-12,14H,2-3,13H2,1H3,(H2,25,26,27,28,31)