[2-[[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [2-[[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[[[4-(2-azidoethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethyl]amino]methyl]-3-phenylpropyl] ester IUPAC Name: [2-[[[4-(2-azidoethoxy)-3-methoxyphenyl]methylcarbamothioylamino]methyl]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[[4-(2-azidoethoxy)-3-methoxy-benzyl]thiocarbamoylamino]methyl]-3-phenyl-propyl] ester Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN=[N+]=[N-])OC

Isomeric SMILES

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN=[N+]=[N-])OC

InChI

InChI=1S/C26H35N5O4S/c1-26(2,3)24(32)35-18-21(14-19-8-6-5-7-9-19)17-29-25(36)28-16-20-10-11-22(23(15-20)33-4)34-13-12-30-31-27/h5-11,15,21H,12-14,16-18H2,1-4H3,(H2,28,29,36)