1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamothioyl)amino]ethyl]-3-phenyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamothioyl)amino]ethyl]-3-phenyl-thiourea Openeye Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamothioyl)amino]ethyl]-3-phenyl-thiourea CAS Name: 1-[2-[[anilino(sulfanylidene)methyl]-(2-cyanoethyl)amino]ethyl]-1-(2-cyanoethyl)-3-phenylthiourea IUPAC Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamothioyl)amino]ethyl]-3-phenylthiourea Traditional Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenylthiocarbamoyl)amino]ethyl]-3-phenyl-thiourea Formula: C22H24N6S2 MolecularWeight: 436.59616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N(CCC#N)CCN(CCC#N)C(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N(CCC#N)CCN(CCC#N)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C22H24N6S2/c23-13-7-15-27(21(29)25-19-9-3-1-4-10-19)17-18-28(16-8-14-24)22(30)26-20-11-5-2-6-12-20/h1-6,9-12H,7-8,15-18H2,(H,25,29)(H,26,30)