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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1O)OCCCCC)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1O)OCCCCC)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

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