4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-thienyl)quinazoline CAS Name: 4-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]-2-(3-thienyl)quinazoline Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H27N5O2S2/c28-31(29,26-10-5-1-2-6-11-26)27-14-12-25(13-15-27)22-19-7-3-4-8-20(19)23-21(24-22)18-9-16-30-17-18/h3-4,7-9,16-17H,1-2,5-6,10-15H2