N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-propyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-propyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-propyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(1-phenyl-2-benzimidazolyl)thio]-N-propylacetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-propylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]-N-propyl-acetamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-2-13-24(18-12-14-30(27,28)16-18)21(26)15-29-22-23-19-10-6-7-11-20(19)25(22)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3/t18-/m0/s1