3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propyl-thiourea

Systemtic Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propyl-thiourea Openeye Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propyl-thiourea CAS Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propylthiourea IUPAC Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propylthiourea Traditional Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-propyl-thiourea Formula: C13H16ClN3S MolecularWeight: 281.80424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C(=S)NC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCN(CCC#N)C(=S)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClN3S/c1-2-9-17(10-3-8-15)13(18)16-12-6-4-11(14)5-7-12/h4-7H,2-3,9-10H2,1H3,(H,16,18)