1-phenethyl-3-[2-[(phenethylcarbamothioylamino)methyl]phenyl]thiourea

Systemtic Name: 1-phenethyl-3-[2-[(phenethylcarbamothioylamino)methyl]phenyl]thiourea Openeye Name: 1-phenethyl-3-[2-[(phenethylcarbamothioylamino)methyl]phenyl]thiourea CAS Name: 1-phenethyl-3-[2-[[[(phenethylamino)-sulfanylidenemethyl]amino]methyl]phenyl]thiourea IUPAC Name: 1-phenethyl-3-[2-[(phenethylcarbamothioylamino)methyl]phenyl]thiourea Traditional Name: 1-phenethyl-3-[2-(phenethylthiocarbamoylamino)benzyl]thiourea Formula: C25H28N4S2 MolecularWeight: 448.64662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4S2/c30-24(26-17-15-20-9-3-1-4-10-20)28-19-22-13-7-8-14-23(22)29-25(31)27-18-16-21-11-5-2-6-12-21/h1-14H,15-19H2,(H2,26,28,30)(H2,27,29,31)