1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(homoveratrylthiocarbamoylamino)thiourea Formula: C19H23FN4O2S2 MolecularWeight: 422.539923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C19H23FN4O2S2/c1-25-16-8-5-13(11-17(16)26-2)9-10-21-18(27)23-24-19(28)22-12-14-3-6-15(20)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H2,21,23,27)(H2,22,24,28)