tert-butyl N-[4-[methyl-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[methyl-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[methyl-(2-oxo-4-thioxo-1H-pyridin-3-yl)carbamoyl]phenyl]carbamate CAS Name: N-[4-[[methyl-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[methyl-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[4-[(2-keto-4-thioxo-1H-pyridin-3-yl)-methyl-carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N(C)C2C(=S)C=CNC2=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N(C)C2C(=S)C=CNC2=O

InChI

InChI=1S/C18H21N3O4S/c1-18(2,3)25-17(24)20-12-7-5-11(6-8-12)16(23)21(4)14-13(26)9-10-19-15(14)22/h5-10,14H,1-4H3,(H,19,22)(H,20,24)