1-phenethyl-3-[[4-[(phenethylcarbamothioylamino)carbamoyl]phenyl]amino]thiourea

Systemtic Name: 1-phenethyl-3-[[4-[(phenethylcarbamothioylamino)carbamoyl]phenyl]amino]thiourea Openeye Name: 1-phenethyl-3-[4-[(phenethylcarbamothioylamino)carbamoyl]anilino]thiourea CAS Name: 1-[4-[oxo-[[(phenethylamino)-sulfanylidenemethyl]hydrazo]methyl]anilino]-3-phenethylthiourea IUPAC Name: 1-phenethyl-3-[4-[(phenethylcarbamothioylamino)carbamoyl]anilino]thiourea Traditional Name: 1-phenethyl-3-[4-[(phenethylthiocarbamoylamino)carbamoyl]anilino]thiourea Formula: C25H28N6OS2 MolecularWeight: 492.65942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC2=CC=C(C=C2)C(=O)NNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC2=CC=C(C=C2)C(=O)NNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N6OS2/c32-23(29-31-25(34)27-18-16-20-9-5-2-6-10-20)21-11-13-22(14-12-21)28-30-24(33)26-17-15-19-7-3-1-4-8-19/h1-14,28H,15-18H2,(H,29,32)(H2,26,30,33)(H2,27,31,34)