ethyl (Z)-3-[(2,6-dimethylphenyl)amino]-2-(phenylcarbamothioyl)but-2-enoate

Systemtic Name: ethyl (Z)-3-[(2,6-dimethylphenyl)amino]-2-(phenylcarbamothioyl)but-2-enoate Openeye Name: ethyl (Z)-3-(2,6-dimethylanilino)-2-(phenylcarbamothioyl)but-2-enoate CAS Name: (Z)-2-[anilino(sulfanylidene)methyl]-3-(2,6-dimethylanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(2,6-dimethylanilino)-2-(phenylcarbamothioyl)but-2-enoate Traditional Name: (Z)-3-(2,6-dimethylanilino)-2-(phenylthiocarbamoyl)but-2-enoic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(\C)/NC1=C(C=CC=C1C)C)/C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O2S/c1-5-25-21(24)18(20(26)23-17-12-7-6-8-13-17)16(4)22-19-14(2)10-9-11-15(19)3/h6-13,22H,5H2,1-4H3,(H,23,26)/b18-16+