N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-(1-isopentylbenzimidazol-2-yl)sulfanyl-N-methyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[(1-isoamylbenzimidazol-2-yl)thio]-N-methyl-propionamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H29N3O3S2/c1-14(2)9-11-23-18-8-6-5-7-17(18)21-20(23)27-15(3)19(24)22(4)16-10-12-28(25,26)13-16/h5-8,14-16H,9-13H2,1-4H3