1-[5-(aminomethyl)thiophen-2-yl]-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-[5-(aminomethyl)thiophen-2-yl]-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[5-(aminomethyl)-2-thienyl]-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[5-(aminomethyl)-2-thiophenyl]-4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[5-(aminomethyl)thiophen-2-yl]-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[5-(aminomethyl)-2-thienyl]-4-[4-(1,2-benzothiazol-3-yl)piperazino]butan-1-one Formula: C20H24N4OS2 MolecularWeight: 400.56076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(S2)CN)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(S2)CN)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H24N4OS2/c21-14-15-7-8-19(26-15)17(25)5-3-9-23-10-12-24(13-11-23)20-16-4-1-2-6-18(16)27-22-20/h1-2,4,6-8H,3,5,9-14,21H2