3-(4-bromanyl-3-methyl-phenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(4-bromo-3-methylphenyl)-1-(2-cyanoethyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-(4-bromo-3-methylphenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C16H20BrN3OS MolecularWeight: 382.3185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CCC#N)CC2CCCO2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CCC#N)CC2CCCO2)Br

InChI

InChI=1S/C16H20BrN3OS/c1-12-10-13(5-6-15(12)17)19-16(22)20(8-3-7-18)11-14-4-2-9-21-14/h5-6,10,14H,2-4,8-9,11H2,1H3,(H,19,22)