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

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-(o-tolyl)thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H17N3O3S/c1-11-6-2-3-7-12(11)18-17(24)20-19-16(21)15-10-22-13-8-4-5-9-14(13)23-15/h2-9,15H,10H2,1H3,(H,19,21)(H2,18,20,24)/t15-/m1/s1