3-(3-chloranyl-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=C(C(=CC=C2)Cl)C)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=C(C(=CC=C2)Cl)C)OCC

InChI

InChI=1S/C22H29ClN2O2S/c1-4-26-21(27-5-2)16-25(15-14-18-10-7-6-8-11-18)22(28)24-20-13-9-12-19(23)17(20)3/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,28)