1-(4-cyanophenyl)-3-[4-[(4-methylphenyl)carbamothioylamino]phenyl]thiourea

Systemtic Name: 1-(4-cyanophenyl)-3-[4-[(4-methylphenyl)carbamothioylamino]phenyl]thiourea Openeye Name: 1-(4-cyanophenyl)-3-[4-(p-tolylcarbamothioylamino)phenyl]thiourea CAS Name: 1-[4-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]phenyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-(4-cyanophenyl)-3-[4-[(4-methylphenyl)carbamothioylamino]phenyl]thiourea Traditional Name: 1-(4-cyanophenyl)-3-[4-(p-tolylthiocarbamoylamino)phenyl]thiourea Formula: C22H19N5S2 MolecularWeight: 417.54976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19N5S2/c1-15-2-6-17(7-3-15)24-21(28)26-19-10-12-20(13-11-19)27-22(29)25-18-8-4-16(14-23)5-9-18/h2-13H,1H3,(H2,24,26,28)(H2,25,27,29)