1-[2-[(4-chlorophenyl)methyl]-3-phenylmethoxy-propyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-[2-[(4-chlorophenyl)methyl]-3-phenylmethoxy-propyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-[2-(benzyloxymethyl)-3-(4-chlorophenyl)propyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]thiourea CAS Name: 1-[2-[(4-chlorophenyl)methyl]-3-phenylmethoxypropyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[2-[(4-chlorophenyl)methyl]-3-phenylmethoxypropyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea Traditional Name: 1-[2-(benzoxymethyl)-3-(4-chlorophenyl)propyl]-3-vanillyl-thiourea Formula: C26H29ClN2O3S MolecularWeight: 485.03806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCC(CC2=CC=C(C=C2)Cl)COCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCC(CC2=CC=C(C=C2)Cl)COCC3=CC=CC=C3)O

InChI

InChI=1S/C26H29ClN2O3S/c1-31-25-14-21(9-12-24(25)30)15-28-26(33)29-16-22(13-19-7-10-23(27)11-8-19)18-32-17-20-5-3-2-4-6-20/h2-12,14,22,30H,13,15-18H2,1H3,(H2,28,29,33)