2-methoxyethyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C27H28N4O5S/c1-35-17-18-36-25(33)16-15-24(32)31-27(37)30-23-10-6-5-9-22(23)26(34)29-21-13-11-20(12-14-21)28-19-7-3-2-4-8-19/h2-14,28H,15-18H2,1H3,(H,29,34)(H2,30,31,32,37)