tert-butyl (Z)-3-azanyl-2-(phenylcarbonylcarbamothioyl)but-2-enoate

Systemtic Name: tert-butyl (Z)-3-azanyl-2-(phenylcarbonylcarbamothioyl)but-2-enoate Openeye Name: tert-butyl (Z)-3-amino-2-(benzoylcarbamothioyl)but-2-enoate CAS Name: (Z)-3-amino-2-[benzamido(sulfanylidene)methyl]-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-3-amino-2-(benzoylcarbamothioyl)but-2-enoate Traditional Name: (Z)-3-amino-2-(benzoylthiocarbamoyl)but-2-enoic acid tert-butyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)N

Isomeric SMILES

C/C(=C(/C(=S)NC(=O)C1=CC=CC=C1)\C(=O)OC(C)(C)C)/N

InChI

InChI=1S/C16H20N2O3S/c1-10(17)12(15(20)21-16(2,3)4)14(22)18-13(19)11-8-6-5-7-9-11/h5-9H,17H2,1-4H3,(H,18,19,22)/b12-10+