1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[4-(pyrrolidinomethyl)benzyl]thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)CN3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)CN3CCCC3)C

InChI

InChI=1S/C21H26ClN3S/c1-15-11-16(2)20(19(22)12-15)24-21(26)23-13-17-5-7-18(8-6-17)14-25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H2,23,24,26)