3-(2-chloranyl-4,6-dimethyl-phenyl)-1-cyclopropyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-cyclopropyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-cyclopropyl-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-cyclopropyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-cyclopropyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-cyclopropyl-1-(3-pyridylmethyl)thiourea Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC2=CN=CC=C2)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC2=CN=CC=C2)C3CC3)C

InChI

InChI=1S/C18H20ClN3S/c1-12-8-13(2)17(16(19)9-12)21-18(23)22(15-5-6-15)11-14-4-3-7-20-10-14/h3-4,7-10,15H,5-6,11H2,1-2H3,(H,21,23)