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

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-iodophenyl)methyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-(4-iodobenzyl)thiourea Formula: C18H22IN3O2S MolecularWeight: 471.35565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)I)OCCN

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)I)OCCN

InChI

InChI=1S/C18H22IN3O2S/c1-23-17-10-14(4-7-16(17)24-9-8-20)12-22-18(25)21-11-13-2-5-15(19)6-3-13/h2-7,10H,8-9,11-12,20H2,1H3,(H2,21,22,25)