1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-fluoro-4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(homoveratrylthiocarbamoylamino)thiourea Formula: C19H23FN4O2S2 MolecularWeight: 422.539923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)F

InChI

InChI=1S/C19H23FN4O2S2/c1-12-4-6-14(11-15(12)20)22-19(28)24-23-18(27)21-9-8-13-5-7-16(25-2)17(10-13)26-3/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23,27)(H2,22,24,28)