4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S/c25-20(6-3-13-28-21-23-16-4-1-2-5-17(16)24-21)22-10-9-15-7-8-18-19(14-15)27-12-11-26-18/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,22,25)(H,23,24)