1-methyl-3-(2-methylpropyl)-1-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiourea

Systemtic Name: 1-methyl-3-(2-methylpropyl)-1-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiourea Openeye Name: 3-isobutyl-1-methyl-1-[[(3R)-1-oxoisochromane-3-carbonyl]amino]thiourea CAS Name: 1-methyl-3-(2-methylpropyl)-1-[[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-(2-methylpropyl)-1-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]thiourea Traditional Name: 3-isobutyl-1-[[(3R)-1-ketoisochroman-3-carbonyl]amino]-1-methyl-thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(C)NC(=O)C1CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)CNC(=S)N(C)NC(=O)[C@H]1CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C16H21N3O3S/c1-10(2)9-17-16(23)19(3)18-14(20)13-8-11-6-4-5-7-12(11)15(21)22-13/h4-7,10,13H,8-9H2,1-3H3,(H,17,23)(H,18,20)/t13-/m1/s1