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

Systemtic Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prolyl]amino]-3-(p-tolyl)thiourea Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N4O5S2/c1-14-4-6-15(7-5-14)22-21(31)24-23-20(26)17-3-2-10-25(17)32(27,28)16-8-9-18-19(13-16)30-12-11-29-18/h4-9,13,17H,2-3,10-12H2,1H3,(H,23,26)(H2,22,24,31)