3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N(CCC#N)CC2CCCO2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N(CCC#N)CC2CCCO2)OC)Cl

InChI

InChI=1S/C17H22ClN3O3S/c1-22-15-10-14(16(23-2)9-13(15)18)20-17(25)21(7-4-6-19)11-12-5-3-8-24-12/h9-10,12H,3-5,7-8,11H2,1-2H3,(H,20,25)