N-[1-[2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-piperidyl]benzamide CAS Name: N-[1-[2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl]-4-piperidyl]benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-2-12-26(15-19-8-9-20(23)29-19)21(27)16-25-13-10-18(11-14-25)24-22(28)17-6-4-3-5-7-17/h2-9,18H,1,10-16H2,(H,24,28)