N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H21N3O4S2/c1-12(16(21)19-13-7-10-26(22,23)11-13)25-17-18-8-9-20(17)14-3-5-15(24-2)6-4-14/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,19,21)