3-[[bis(prop-2-enyl)amino]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[bis(prop-2-enyl)amino]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[(diallylamino)methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[bis(prop-2-enyl)amino]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[bis(prop-2-enyl)amino]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[(diallylamino)methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN(CC=C)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN(CC=C)CC=C

InChI

InChI=1S/C21H23N3O4S2/c1-4-12-23(13-5-2)15-24-19-14-18(10-11-20(19)28-21(24)29)30(25,26)22-16-6-8-17(27-3)9-7-16/h4-11,14,22H,1-2,12-13,15H2,3H3