N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(2-keto-3-methyl-benzimidazol-1-yl)propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H23N3O2S2/c1-23-17-8-2-3-9-18(17)24(21(23)26)11-10-19(25)22-16-7-4-6-15(14-16)20-27-12-5-13-28-20/h2-4,6-9,14,20H,5,10-13H2,1H3,(H,22,25)