1-[3-[[(5-chloranylthiophen-2-yl)methylamino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-[3-[[(5-chloranylthiophen-2-yl)methylamino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[3-[[(5-chloro-2-thienyl)methylamino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol CAS Name: 1-[3-[[(5-chloro-2-thiophenyl)methylamino]methyl]phenoxy]-3-(4-ethyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[3-[[(5-chloro-2-thienyl)methylamino]methyl]phenoxy]-3-(4-ethylpiperazino)propan-2-ol Formula: C21H30ClN3O2S MolecularWeight: 423.9998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CC=C(S3)Cl)O

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CC=C(S3)Cl)O

InChI

InChI=1S/C21H30ClN3O2S/c1-2-24-8-10-25(11-9-24)15-18(26)16-27-19-5-3-4-17(12-19)13-23-14-20-6-7-21(22)28-20/h3-7,12,18,23,26H,2,8-11,13-16H2,1H3