3-(dibutylamino)-1-[8-[3-(dibutylamino)propanoyl]phenoxathiin-3-yl]propan-1-one

Systemtic Name: 3-(dibutylamino)-1-[8-[3-(dibutylamino)propanoyl]phenoxathiin-3-yl]propan-1-one Openeye Name: 3-(dibutylamino)-1-[8-[3-(dibutylamino)propanoyl]phenoxathiin-3-yl]propan-1-one CAS Name: 3-(dibutylamino)-1-[8-[3-(dibutylamino)-1-oxopropyl]-3-phenoxathiinyl]-1-propanone IUPAC Name: 3-(dibutylamino)-1-[8-[3-(dibutylamino)propanoyl]phenoxathiin-3-yl]propan-1-one Traditional Name: 3-(dibutylamino)-1-[8-[3-(dibutylamino)propanoyl]phenoxathiin-3-yl]propan-1-one Formula: C34H50N2O3S MolecularWeight: 566.8374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCC(=O)C1=CC2=C(C=C1)SC3=C(O2)C=CC(=C3)C(=O)CCN(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)CCC(=O)C1=CC2=C(C=C1)SC3=C(O2)C=CC(=C3)C(=O)CCN(CCCC)CCCC

InChI

InChI=1S/C34H50N2O3S/c1-5-9-19-35(20-10-6-2)23-17-29(37)27-14-16-33-32(25-27)39-31-15-13-28(26-34(31)40-33)30(38)18-24-36(21-11-7-3)22-12-8-4/h13-16,25-26H,5-12,17-24H2,1-4H3