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

Systemtic Name: [2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-[2-(aminomethyl)phenyl]carbamate Openeye Name: [2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-ethyl] N-[2-(aminomethyl)phenyl]carbamate CAS Name: N-[2-(aminomethyl)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-(aminomethyl)phenyl]carbamate Traditional Name: N-[2-(aminomethyl)phenyl]carbamic acid [2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-ethyl] ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC(=O)NC2=CC=CC=C2CN)OC3=C4C=C(SC4=CC=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(COC(=O)NC2=CC=CC=C2CN)OC3=C4C=C(SC4=CC=C3)C(=N)N

InChI

InChI=1S/C25H24N4O3S/c26-14-17-9-4-5-10-19(17)29-25(30)31-15-21(16-7-2-1-3-8-16)32-20-11-6-12-22-18(20)13-23(33-22)24(27)28/h1-13,21H,14-15,26H2,(H3,27,28)(H,29,30)