N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethoxy-4-propoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethoxy-4-propoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethoxy-4-propoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethoxy-4-propoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-ethoxy-4-propoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethoxy-4-propoxy-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C23H29N3O3S/c1-4-13-29-20-11-10-16(15-21(20)28-5-2)23(27)26-19(12-14-30-3)22-24-17-8-6-7-9-18(17)25-22/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1