N-tert-butyl-2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazino]-N-tert-butyl-acetamide Formula: C20H31ClN4O2S MolecularWeight: 427.00374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C20H31ClN4O2S/c1-5-8-24(13-16-6-7-17(21)28-16)15-19(27)25-11-9-23(10-12-25)14-18(26)22-20(2,3)4/h5-7H,1,8-15H2,2-4H3,(H,22,26)