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

Systemtic Name: N'-[4-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]piperazin-1-yl]-4-phenyl-thiophene-2-carboximidamide Openeye Name: N'-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]piperazin-1-yl]-4-phenyl-thiophene-2-carboxamidine CAS Name: N'-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-4-phenyl-2-thiophenecarboximidamide IUPAC Name: N'-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]-4-phenylthiophene-2-carboximidamide Traditional Name: N'-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]piperazino]-4-phenyl-thiophene-2-carboxamidine Formula: C32H40N4O2S MolecularWeight: 544.7506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)N2CCN(CC2)N=C(C3=CC(=CS3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)N2CCN(CC2)/N=C(\C3=CC(=CS3)C4=CC=CC=C4)/N

InChI

InChI=1S/C32H40N4O2S/c1-31(2,3)25-18-22(19-26(29(25)38)32(4,5)6)12-13-28(37)35-14-16-36(17-15-35)34-30(33)27-20-24(21-39-27)23-10-8-7-9-11-23/h7-13,18-21,38H,14-17H2,1-6H3,(H2,33,34)/b13-12+