1-phenethyl-3-[1-[[4-(phenethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-phenethyl-3-[1-[[4-(phenethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Openeye Name: 1-phenethyl-3-[1-[[4-(phenethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea CAS Name: 1-phenethyl-3-[1-[[4-[[(phenethylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-phenethyl-3-[1-[[4-(phenethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Traditional Name: 1-phenethyl-3-[1-[[4-(phenethylthiocarbamoylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Formula: C25H28N8S2 MolecularWeight: 504.67342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N8S2/c34-24(26-13-11-20-7-3-1-4-8-20)30-22-15-28-32(17-22)19-33-18-23(16-29-33)31-25(35)27-14-12-21-9-5-2-6-10-21/h1-10,15-18H,11-14,19H2,(H2,26,30,34)(H2,27,31,35)