2-[3-[[2-[[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-phenyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]ethanethioic S-acid

Systemtic Name: 2-[3-[[2-[[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-phenyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]ethanethioic S-acid Openeye Name: 2-[3-[[2-(N-[2-(N-methylanilino)-2-oxo-ethyl]anilino)-2-oxo-ethyl]carbamoylamino]phenyl]ethanethioic S-acid CAS Name: 2-[3-[[[[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]ethanethioic S-acid IUPAC Name: 2-[3-[[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]phenyl]ethanethioic S-acid Traditional Name: 2-[3-[[2-keto-2-(N-[2-keto-2-(N-methylanilino)ethyl]anilino)ethyl]carbamoylamino]phenyl]thioacetic acid Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)S

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)S

InChI

InChI=1S/C26H26N4O4S/c1-29(21-11-4-2-5-12-21)24(32)18-30(22-13-6-3-7-14-22)23(31)17-27-26(34)28-20-10-8-9-19(15-20)16-25(33)35/h2-15H,16-18H2,1H3,(H,33,35)(H2,27,28,34)