N-(2-methoxyphenyl)-3-[[phenethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-[[phenethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[benzyl(phenethyl)amino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-[[phenethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[benzyl(phenethyl)amino]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[benzyl(phenethyl)amino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C30H29N3O4S2 MolecularWeight: 559.69896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S2/c1-36-28-15-9-8-14-26(28)31-39(34,35)25-16-17-29-27(20-25)33(30(38)37-29)22-32(21-24-12-6-3-7-13-24)19-18-23-10-4-2-5-11-23/h2-17,20,31H,18-19,21-22H2,1H3