1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3)F

InChI

InChI=1S/C18H18ClFN2O2S/c1-11-3-4-13(9-15(11)20)22-18(25)21-10-12-7-14(19)17-16(8-12)23-5-2-6-24-17/h3-4,7-9H,2,5-6,10H2,1H3,(H2,21,22,25)