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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-fluorophenyl)carbamothioylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-fluorophenyl)carbamothioylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-fluorophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-fluorophenyl)-3-(homoveratrylthiocarbamoylamino)thiourea Formula: C18H21FN4O2S2 MolecularWeight: 408.513343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NC2=CC=CC=C2F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NC2=CC=CC=C2F)OC

InChI

InChI=1S/C18H21FN4O2S2/c1-24-15-8-7-12(11-16(15)25-2)9-10-20-17(26)22-23-18(27)21-14-6-4-3-5-13(14)19/h3-8,11H,9-10H2,1-2H3,(H2,20,22,26)(H2,21,23,27)