1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]-3-(o-tolyl)thiourea Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N4O5S2/c1-15-4-2-3-5-18(15)23-22(32)25-24-21(27)16-8-10-26(11-9-16)33(28,29)17-6-7-19-20(14-17)31-13-12-30-19/h2-7,14,16H,8-13H2,1H3,(H,24,27)(H2,23,25,32)