1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]-1-methyl-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]-1-methyl-3-(2-methylpropyl)thiourea Openeye Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]-3-isobutyl-1-methyl-thiourea CAS Name: 1-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]-1-methyl-3-(2-methylpropyl)thiourea IUPAC Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]-1-methyl-3-(2-methylpropyl)thiourea Traditional Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]-3-isobutyl-1-methyl-thiourea Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC(C)CNC(=S)N(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H27N5O3S/c1-13(2)11-21-20(29)25(4)23-19(26)15-12-24(3)22-18(15)14-6-7-16-17(10-14)28-9-5-8-27-16/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,21,29)(H,23,26)