N-[(2-methyl-1-oxidanyl-propan-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-[(2-methyl-1-oxidanyl-propan-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-[(2-hydroxy-1,1-dimethyl-ethyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[[(1-hydroxy-2-methylpropan-2-yl)amino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-[(1-hydroxy-2-methylpropan-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-[(2-hydroxy-1,1-dimethyl-ethyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=S)NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(CO)NC(=S)NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25N3O5S2/c1-18(2,13-22)20-17(27)19-16(23)8-5-14-3-6-15(7-4-14)28(24,25)21-9-11-26-12-10-21/h3-8,22H,9-13H2,1-2H3,(H2,19,20,23,27)