1-(5-chloranyl-2-methoxy-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20ClN3O3S2/c1-25-17-9-4-13(19)12-16(17)21-18(26)20-14-5-7-15(8-6-14)27(23,24)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,21,26)