2-methoxyethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-benzamidophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-28-12-13-29-19(26)11-10-18(25)24-21(30)23-17-9-5-8-16(14-17)22-20(27)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,22,27)(H2,23,24,25,30)