[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-[2-methyl-5-(methylaminomethyl)pyrazol-3-yl]carbamate

Systemtic Name: [2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-[2-methyl-5-(methylaminomethyl)pyrazol-3-yl]carbamate Openeye Name: [2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-ethyl] N-[2-methyl-5-(methylaminomethyl)pyrazol-3-yl]carbamate CAS Name: N-[2-methyl-5-(methylaminomethyl)-3-pyrazolyl]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-methyl-5-(methylaminomethyl)pyrazol-3-yl]carbamate Traditional Name: N-[2-methyl-5-(methylaminomethyl)pyrazol-3-yl]carbamic acid [2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-ethyl] ester Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NN(C(=C1)NC(=O)OCC(C2=CC=CC=C2)OC3=C4C=C(SC4=CC=C3)C(=N)N)C

Isomeric SMILES

CNCC1=NN(C(=C1)NC(=O)OCC(C2=CC=CC=C2)OC3=C4C=C(SC4=CC=C3)C(=N)N)C

InChI

InChI=1S/C24H26N6O3S/c1-27-13-16-11-22(30(2)29-16)28-24(31)32-14-19(15-7-4-3-5-8-15)33-18-9-6-10-20-17(18)12-21(34-20)23(25)26/h3-12,19,27H,13-14H2,1-2H3,(H3,25,26)(H,28,31)