3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NCCC1=CC=C(C=C1)Cl

Isomeric SMILES

CN(CCC#N)C(=S)NCCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClN3S/c1-17(10-2-8-15)13(18)16-9-7-11-3-5-12(14)6-4-11/h3-6H,2,7,9-10H2,1H3,(H,16,18)