1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-[2-(4-octoxyphenyl)ethyl]thiourea Formula: C27H41N3O3S MolecularWeight: 487.69774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CCNC(=S)NCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CCNC(=S)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C27H41N3O3S/c1-3-4-5-6-7-8-18-32-24-12-9-22(10-13-24)15-17-29-27(34)30-21-23-11-14-25(33-19-16-28)26(20-23)31-2/h9-14,20H,3-8,15-19,21,28H2,1-2H3,(H2,29,30,34)