2-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[(3,4-diethoxyphenyl)-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(3,4-diethoxybenzoyl)piperazino]-1-(2-thienyl)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3)OCC

InChI

InChI=1S/C21H26N2O4S/c1-3-26-18-8-7-16(14-19(18)27-4-2)21(25)23-11-9-22(10-12-23)15-17(24)20-6-5-13-28-20/h5-8,13-14H,3-4,9-12,15H2,1-2H3