1-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-bromo-5-fluoro-benzoyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[(3-bromo-5-fluorophenyl)-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-bromo-5-fluorobenzoyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(3-bromo-5-fluoro-benzoyl)amino]-3-homoveratryl-thiourea Formula: C18H19BrFN3O3S MolecularWeight: 456.329163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFN3O3S/c1-25-15-4-3-11(7-16(15)26-2)5-6-21-18(27)23-22-17(24)12-8-13(19)10-14(20)9-12/h3-4,7-10H,5-6H2,1-2H3,(H,22,24)(H2,21,23,27)