[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-[2-(piperazin-1-ylmethyl)phenyl]carbamate

Systemtic Name: [2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-[2-(piperazin-1-ylmethyl)phenyl]carbamate Openeye Name: [2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-ethyl] N-[2-(piperazin-1-ylmethyl)phenyl]carbamate CAS Name: N-[2-(1-piperazinylmethyl)phenyl]carbamic acid [2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl] ester IUPAC Name: [2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl] N-[2-(piperazin-1-ylmethyl)phenyl]carbamate Traditional Name: N-[2-(piperazinomethyl)phenyl]carbamic acid [2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-ethyl] ester Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC=C2NC(=O)OCC(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC=C2NC(=O)OCC(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

InChI

InChI=1S/C29H31N5O3S/c30-28(31)27-17-22-24(11-6-12-26(22)38-27)37-25(20-7-2-1-3-8-20)19-36-29(35)33-23-10-5-4-9-21(23)18-34-15-13-32-14-16-34/h1-12,17,25,32H,13-16,18-19H2,(H3,30,31)(H,33,35)