[4-[4-(dibutylamino)butoxy]-3,5-dimethyl-phenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-[4-(dibutylamino)butoxy]-3,5-dimethyl-phenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone Openeye Name: [4-[4-(dibutylamino)butoxy]-3,5-dimethyl-phenyl]-(2-ethylbenzothiophen-3-yl)methanone CAS Name: [4-[4-(dibutylamino)butoxy]-3,5-dimethylphenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[4-(dibutylamino)butoxy]-3,5-dimethylphenyl]-(2-ethyl-1-benzothiophen-3-yl)methanone Traditional Name: [4-[4-(dibutylamino)butoxy]-3,5-dimethyl-phenyl]-(2-ethylbenzothiophen-3-yl)methanone Formula: C31H43NO2S MolecularWeight: 493.74362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCCOC1=C(C=C(C=C1C)C(=O)C2=C(SC3=CC=CC=C32)CC)C

Isomeric SMILES

CCCCN(CCCC)CCCCOC1=C(C=C(C=C1C)C(=O)C2=C(SC3=CC=CC=C32)CC)C

InChI

InChI=1S/C31H43NO2S/c1-6-9-17-32(18-10-7-2)19-13-14-20-34-31-23(4)21-25(22-24(31)5)30(33)29-26-15-11-12-16-28(26)35-27(29)8-3/h11-12,15-16,21-22H,6-10,13-14,17-20H2,1-5H3