1-(5-chloranylpyridin-2-yl)-3-[(1R,2R)-2-(3-ethanoyl-6-methoxy-2-oxidanyl-phenyl)cyclopropyl]thiourea

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-3-[(1R,2R)-2-(3-ethanoyl-6-methoxy-2-oxidanyl-phenyl)cyclopropyl]thiourea Openeye Name: 1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea CAS Name: 1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloro-2-pyridinyl)thiourea IUPAC Name: 1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)thiourea Traditional Name: 1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OC)C2CC2NC(=S)NC3=NC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OC)[C@H]2C[C@H]2NC(=S)NC3=NC=C(C=C3)Cl)O

InChI

InChI=1S/C18H18ClN3O3S/c1-9(23)11-4-5-14(25-2)16(17(11)24)12-7-13(12)21-18(26)22-15-6-3-10(19)8-20-15/h3-6,8,12-13,24H,7H2,1-2H3,(H2,20,21,22,26)/t12-,13+/m0/s1