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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[4-(diethylaminomethyl)benzyl]thiourea Formula: C21H28ClN3S MolecularWeight: 389.98512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H28ClN3S/c1-5-25(6-2)14-18-9-7-17(8-10-18)13-23-21(26)24-20-16(4)11-15(3)12-19(20)22/h7-12H,5-6,13-14H2,1-4H3,(H2,23,24,26)