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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-vanillyl-thiourea Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H17ClN2O2S/c1-21-15-8-12(4-7-14(15)20)10-19-16(22)18-9-11-2-5-13(17)6-3-11/h2-8,20H,9-10H2,1H3,(H2,18,19,22)