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

Systemtic Name: N'-[4-[4-[(E)-3-(3,5-diheptoxy-4-oxidanyl-phenyl)prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[4-[(E)-3-(3,5-diheptoxy-4-hydroxy-phenyl)prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[4-[(E)-3-(3,5-diheptoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[4-[(E)-3-(3,5-diheptoxy-4-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[4-[(E)-3-(3,5-diheptoxy-4-hydroxy-phenyl)acryloyl]piperazino]phenyl]thiophene-2-carboxamidine Formula: C38H52N4O4S MolecularWeight: 660.90888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1O)OCCCCCCC)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1O)OCCCCCCC)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C38H52N4O4S/c1-3-5-7-9-11-25-45-33-28-30(29-34(37(33)44)46-26-12-10-8-6-4-2)15-20-36(43)42-23-21-41(22-24-42)32-18-16-31(17-19-32)40-38(39)35-14-13-27-47-35/h13-20,27-29,44H,3-12,21-26H2,1-2H3,(H2,39,40)/b20-15+