[4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]-(2-methyl-1-benzothiophen-3-yl)methanone hydrochloride

Systemtic Name: [4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]-(2-methyl-1-benzothiophen-3-yl)methanone hydrochloride Openeye Name: [4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]-(2-methylbenzothiophen-3-yl)methanone hydrochloride CAS Name: [4-[3-(dibutylamino)propoxy]-3,5-dimethylphenyl]-(2-methyl-1-benzothiophen-3-yl)methanone hydrochloride IUPAC Name: [4-[3-(dibutylamino)propoxy]-3,5-dimethylphenyl]-(2-methyl-1-benzothiophen-3-yl)methanone hydrochloride Traditional Name: [4-[3-(dibutylamino)propoxy]-3,5-dimethyl-phenyl]-(2-methylbenzothiophen-3-yl)methanone hydrochloride Formula: C29H40ClNO2S MolecularWeight: 502.1514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=C(SC3=CC=CC=C32)C)C.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=C(SC3=CC=CC=C32)C)C.Cl

InChI

InChI=1S/C29H39NO2S.ClH/c1-6-8-15-30(16-9-7-2)17-12-18-32-29-21(3)19-24(20-22(29)4)28(31)27-23(5)33-26-14-11-10-13-25(26)27;/h10-11,13-14,19-20H,6-9,12,15-18H2,1-5H3;1H