1-phenyl-3-[1-[[4-(phenylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-phenyl-3-[1-[[4-(phenylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Openeye Name: 1-phenyl-3-[1-[[4-(phenylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[[4-[[anilino(sulfanylidene)methyl]amino]-1-pyrazolyl]methyl]-4-pyrazolyl]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[1-[[4-(phenylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Traditional Name: 1-phenyl-3-[1-[[4-(phenylthiocarbamoylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Formula: C21H20N8S2 MolecularWeight: 448.5671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N8S2/c30-20(24-16-7-3-1-4-8-16)26-18-11-22-28(13-18)15-29-14-19(12-23-29)27-21(31)25-17-9-5-2-6-10-17/h1-14H,15H2,(H2,24,26,30)(H2,25,27,31)