methyl 3-[5-[2-[3-oxidanyl-4-(phenylcarbamothioylamino)phenyl]ethanoylamino]pyridin-2-yl]butanoate

Systemtic Name: methyl 3-[5-[2-[3-oxidanyl-4-(phenylcarbamothioylamino)phenyl]ethanoylamino]pyridin-2-yl]butanoate Openeye Name: methyl 3-[5-[[2-[3-hydroxy-4-(phenylcarbamothioylamino)phenyl]acetyl]amino]-2-pyridyl]butanoate CAS Name: 3-[5-[[2-[4-[[anilino(sulfanylidene)methyl]amino]-3-hydroxyphenyl]-1-oxoethyl]amino]-2-pyridinyl]butanoic acid methyl ester IUPAC Name: methyl 3-[5-[[2-[3-hydroxy-4-(phenylcarbamothioylamino)phenyl]acetyl]amino]pyridin-2-yl]butanoate Traditional Name: 3-[5-[[2-[3-hydroxy-4-(phenylthiocarbamoylamino)phenyl]acetyl]amino]-2-pyridyl]butyric acid methyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=NC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)NC(=S)NC3=CC=CC=C3)O

Isomeric SMILES

CC(CC(=O)OC)C1=NC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)NC(=S)NC3=CC=CC=C3)O

InChI

InChI=1S/C25H26N4O4S/c1-16(12-24(32)33-2)20-11-9-19(15-26-20)27-23(31)14-17-8-10-21(22(30)13-17)29-25(34)28-18-6-4-3-5-7-18/h3-11,13,15-16,30H,12,14H2,1-2H3,(H,27,31)(H2,28,29,34)