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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(pyrrolidinomethyl)benzyl]thiourea Formula: C20H24ClN3S MolecularWeight: 373.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2CN3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2CN3CCCC3)Cl

InChI

InChI=1S/C20H24ClN3S/c1-15-8-9-18(12-19(15)21)23-20(25)22-13-16-6-2-3-7-17(16)14-24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H2,22,23,25)