3-[(4-cyanophenyl)carbamothioylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbamothioylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-cyanophenyl)carbamothioylamino]-4-(N-(2-methoxy-1-methyl-2-oxo-ethyl)anilino)-4-oxo-butanoic acid CAS Name: 3-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-cyanophenyl)carbamothioylamino]-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-[(4-cyanophenyl)thiocarbamoylamino]-4-keto-4-(N-(2-keto-2-methoxy-1-methyl-ethyl)anilino)butyric acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H22N4O5S/c1-14(21(30)31-2)26(17-6-4-3-5-7-17)20(29)18(12-19(27)28)25-22(32)24-16-10-8-15(13-23)9-11-16/h3-11,14,18H,12H2,1-2H3,(H,27,28)(H2,24,25,32)