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

Systemtic Name: N'-[4-[4-[(E)-3-[4-oxidanyl-3,5-di(pentan-3-yloxy)phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[4-[(E)-3-[3,5-bis(1-ethylpropoxy)-4-hydroxy-phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(pentan-3-yloxy)phenyl]-1-oxoprop-2-enyl]-1-piperazinyl]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[4-[(E)-3-[4-hydroxy-3,5-di(pentan-3-yloxy)phenyl]prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[4-[(E)-3-[3,5-bis(1-ethylpropoxy)-4-hydroxy-phenyl]acryloyl]piperazino]phenyl]thiophene-2-carboxamidine Formula: C34H44N4O4S MolecularWeight: 604.80256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC(=CC(=C1O)OC(CC)CC)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

CCC(CC)OC1=CC(=CC(=C1O)OC(CC)CC)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C34H44N4O4S/c1-5-27(6-2)41-29-22-24(23-30(33(29)40)42-28(7-3)8-4)11-16-32(39)38-19-17-37(18-20-38)26-14-12-25(13-15-26)36-34(35)31-10-9-21-43-31/h9-16,21-23,27-28,40H,5-8,17-20H2,1-4H3,(H2,35,36)/b16-11+