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

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[(4-octoxyphenyl)methyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-[(4-octoxyphenyl)methyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-octoxyphenyl)methyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-octoxyphenyl)methyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-(4-octoxybenzyl)thiourea Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O3S/c1-3-4-5-6-7-8-16-31-23-12-9-21(10-13-23)19-28-26(33)29-20-22-11-14-24(32-17-15-27)25(18-22)30-2/h9-14,18H,3-8,15-17,19-20,27H2,1-2H3,(H2,28,29,33)