1-(2-cyanoethanoylamino)-3-phenethyl-thiourea

Systemtic Name: 1-(2-cyanoethanoylamino)-3-phenethyl-thiourea Openeye Name: 1-[(2-cyanoacetyl)amino]-3-phenethyl-thiourea CAS Name: 1-[(2-cyano-1-oxoethyl)amino]-3-phenethylthiourea IUPAC Name: 1-[(2-cyanoacetyl)amino]-3-phenethylthiourea Traditional Name: 1-[(2-cyanoacetyl)amino]-3-phenethyl-thiourea Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CC#N

InChI

InChI=1S/C12H14N4OS/c13-8-6-11(17)15-16-12(18)14-9-7-10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,15,17)(H2,14,16,18)