1-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]thiourea CAS Name: 1-[[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]thiourea Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1(CC2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1(CC2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C15H19N3O3S/c1-9(2)16-14(22)18-17-13(20)15(3)8-10-6-4-5-7-11(10)12(19)21-15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,22)