3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-4-fluoro-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-4-fluorophenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(3-chloro-4-fluoro-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Formula: C25H23ClFN3S MolecularWeight: 451.986623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H23ClFN3S/c1-2-29-16-19(21-10-6-7-11-24(21)29)17-30(15-18-8-4-3-5-9-18)25(31)28-20-12-13-23(27)22(26)14-20/h3-14,16H,2,15,17H2,1H3,(H,28,31)