3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[cyclopropyl(2-thienylmethyl)amino]methyl]-N,N-dimethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[cyclopropyl(2-thenyl)amino]methyl]-N,N-dimethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC3=CC=CS3)C4CC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C18H21N3O3S3/c1-19(2)27(22,23)15-7-8-17-16(10-15)21(18(25)24-17)12-20(13-5-6-13)11-14-4-3-9-26-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3