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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]propionamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O3S2/c1-12-4-3-5-15(10-12)20-8-7-18-17(20)24-13(2)16(21)19-14-6-9-25(22,23)11-14/h3-5,7-8,10,13-14H,6,9,11H2,1-2H3,(H,19,21)