ethyl 2-azanyl-5-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-6-oxidanylidene-1,4-diphenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-6-oxidanylidene-1,4-diphenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-6-oxo-1,4-diphenyl-pyridine-3-carboxylate CAS Name: 2-amino-5-[(1E)-1-[[anilino(sulfanylidene)methyl]hydrazinylidene]ethyl]-6-oxo-1,4-diphenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-6-oxo-1,4-diphenylpyridine-3-carboxylate Traditional Name: 2-amino-6-keto-5-[(E)-C-methyl-N-(phenylthiocarbamoylamino)carbonimidoyl]-1,4-diphenyl-nicotinic acid ethyl ester Formula: C29H27N5O3S MolecularWeight: 525.62138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=CC=C2)C(=NNC(=S)NC3=CC=CC=C3)C)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=CC=C2)/C(=N/NC(=S)NC3=CC=CC=C3)/C)C4=CC=CC=C4)N

InChI

InChI=1S/C29H27N5O3S/c1-3-37-28(36)25-24(20-13-7-4-8-14-20)23(27(35)34(26(25)30)22-17-11-6-12-18-22)19(2)32-33-29(38)31-21-15-9-5-10-16-21/h4-18H,3,30H2,1-2H3,(H2,31,33,38)/b32-19+