methyl N-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]carbamodithioate

Systemtic Name: methyl N-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]carbamodithioate Openeye Name: methyl N-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]amino]carbamodithioate CAS Name: N-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]carbamodithioic acid methyl ester IUPAC Name: methyl N-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]amino]carbamodithioate Traditional Name: N-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]amino]carbamodithioic acid methyl ester Formula: C19H28N2O2S2 MolecularWeight: 380.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)NNC(=S)SC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)NNC(=S)SC

InChI

InChI=1S/C19H28N2O2S2/c1-18(2,3)13-10-12(11-14(16(13)23)19(4,5)6)8-9-15(22)20-21-17(24)25-7/h8-11,23H,1-7H3,(H,20,22)(H,21,24)/b9-8+