1-[1-cyano-2-[(4-cyanophenyl)carbamothioylamino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea

Systemtic Name: 1-[1-cyano-2-[(4-cyanophenyl)carbamothioylamino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea Openeye Name: 1-[1-cyano-2-[(4-cyanophenyl)carbamothioylamino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea CAS Name: 1-[1-cyano-2-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea IUPAC Name: 1-[1-cyano-2-[(4-cyanophenyl)carbamothioylamino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea Traditional Name: 1-[1-cyano-2-[(4-cyanophenyl)thiocarbamoylamino]ethyl]-1-(2-cyanoethyl)-3-(4-cyanophenyl)thiourea Formula: C22H18N8S2 MolecularWeight: 458.56192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=S)NCC(C#N)N(CCC#N)C(=S)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=S)NCC(C#N)N(CCC#N)C(=S)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H18N8S2/c23-10-1-11-30(22(32)29-19-8-4-17(13-25)5-9-19)20(14-26)15-27-21(31)28-18-6-2-16(12-24)3-7-18/h2-9,20H,1,11,15H2,(H,29,32)(H2,27,28,31)