(3-butyl-5-nitro-1-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

Systemtic Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Openeye Name: (3-butyl-5-nitro-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone CAS Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone IUPAC Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Traditional Name: (3-butyl-5-nitro-benzothiophen-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Formula: C30H40N2O4S MolecularWeight: 524.7146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

InChI

InChI=1S/C30H40N2O4S/c1-4-7-11-26-27-22-24(32(34)35)14-17-28(27)37-30(26)29(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3