1-(2-isocyanatopropan-2-yl)-2-[[2-oxidanyl-5-(sulfinoamino)phenyl]amino]-3-prop-1-en-2-yl-benzene

Systemtic Name: 1-(2-isocyanatopropan-2-yl)-2-[[2-oxidanyl-5-(sulfinoamino)phenyl]amino]-3-prop-1-en-2-yl-benzene Openeye Name: 2-[2-hydroxy-5-(sulfinoamino)anilino]-1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene CAS Name: 2-[2-hydroxy-5-(sulfinoamino)anilino]-1-(2-isocyanatopropan-2-yl)-3-(1-methylethenyl)benzene IUPAC Name: 2-[2-hydroxy-5-(sulfinoamino)anilino]-1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene Traditional Name: 2-[2-hydroxy-5-(sulfinoamino)anilino]-1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(C(=CC=C1)C(C)(C)N=C=O)NC2=C(C=CC(=C2)NS(=O)O)O

Isomeric SMILES

CC(=C)C1=C(C(=CC=C1)C(C)(C)N=C=O)NC2=C(C=CC(=C2)NS(=O)O)O

InChI

InChI=1S/C19H21N3O4S/c1-12(2)14-6-5-7-15(19(3,4)20-11-23)18(14)21-16-10-13(22-27(25)26)8-9-17(16)24/h5-10,21-22,24H,1H2,2-4H3,(H,25,26)