[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]-dipentyl-azanium

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]-dipentyl-azanium Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]-dipentyl-ammonium CAS Name: [(2S)-2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]propyl]-dipentylammonium IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]-dipentylazanium Traditional Name: diamyl-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)propyl]ammonium Formula: C22H38N3O2S+ MolecularWeight: 408.62102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CC(C)NC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCC[NH+](CCCCC)C[C@H](C)NC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C22H37N3O2S/c1-4-6-8-12-25(13-9-7-5-2)17-18(3)23-22(28)24-19-10-11-20-21(16-19)27-15-14-26-20/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H2,23,24,28)/p+1/t18-/m0/s1