1-(1,3-benzothiazol-2-ylamino)-3-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylamino)-3-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylamino)-3-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]thiourea CAS Name: 1-(1,3-benzothiazol-2-ylamino)-3-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylamino)-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]thiourea Traditional Name: 1-(1,3-benzothiazol-2-ylamino)-3-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]thiourea Formula: C25H22N6S2 MolecularWeight: 470.61238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NNC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NNC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6S2/c1-17-11-13-18(14-12-17)23-19(16-31(30-23)20-7-3-2-4-8-20)15-26-24(32)28-29-25-27-21-9-5-6-10-22(21)33-25/h2-14,16H,15H2,1H3,(H,27,29)(H2,26,28,32)