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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(2-cyanoethanoylamino)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[(2-cyanoacetyl)amino]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(2-cyano-1-oxoethyl)amino]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[(2-cyanoacetyl)amino]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[(2-cyanoacetyl)amino]thiourea Formula: C11H11ClN4OS MolecularWeight: 282.74924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NNC(=O)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NNC(=O)CC#N)Cl

InChI

InChI=1S/C11H11ClN4OS/c12-9-3-1-8(2-4-9)7-14-11(18)16-15-10(17)5-6-13/h1-4H,5,7H2,(H,15,17)(H2,14,16,18)