N'-[4-[4-[(E)-3-[3,5-di(nonyl)-4-oxidanyl-phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[4-[4-[(E)-3-[3,5-di(nonyl)-4-oxidanyl-phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(nonyl)phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(nonyl)phenyl]-1-oxoprop-2-enyl]-1-piperazinyl]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(nonyl)phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(nonyl)phenyl]acryloyl]piperazino]phenyl]thiophene-2-carboxamidine Formula: C42H60N4O2S MolecularWeight: 685.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCCC)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCCC)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C42H60N4O2S/c1-3-5-7-9-11-13-15-18-35-32-34(33-36(41(35)48)19-16-14-12-10-8-6-4-2)21-26-40(47)46-29-27-45(28-30-46)38-24-22-37(23-25-38)44-42(43)39-20-17-31-49-39/h17,20-26,31-33,48H,3-16,18-19,27-30H2,1-2H3,(H2,43,44)/b26-21+