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

Systemtic Name: 1-dodecyl-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-dodecyl-3-[(4-hydroxy-3-methoxy-phenyl)methyl]thiourea CAS Name: 1-dodecyl-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-dodecyl-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea Traditional Name: 1-lauryl-3-vanillyl-thiourea Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C21H36N2O2S/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(26)23-17-18-13-14-19(24)20(16-18)25-2/h13-14,16,24H,3-12,15,17H2,1-2H3,(H2,22,23,26)