1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2,3-dimethylphenyl)thiourea Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NN=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NN=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N5O2S/c1-18-7-6-10-23(19(18)2)29-27(35)30-28-16-21-17-32(22-8-4-3-5-9-22)31-26(21)20-11-12-24-25(15-20)34-14-13-33-24/h3-12,15-17H,13-14H2,1-2H3,(H2,29,30,35)