1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-1-enyl]thiourea

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-1-enyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-1-enyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-1-[(E)-octadec-1-enyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-1-[(E)-octadec-1-enyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-1-[(E)-octadec-1-enyl]thiourea Formula: C29H51N3O2S MolecularWeight: 505.79914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CN(CC1=CC(=C(C=C1)OCCN)OC)C(=S)N

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/N(CC1=CC(=C(C=C1)OCCN)OC)C(=S)N

InChI

InChI=1S/C29H51N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32(29(31)35)25-26-19-20-27(34-23-21-30)28(24-26)33-2/h18-20,22,24H,3-17,21,23,25,30H2,1-2H3,(H2,31,35)/b22-18+