2-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C51

InChI

InChI=1S/C30H25N3O4S/c1-2-33-26-10-6-5-7-22(26)25-17-20(13-16-27(25)33)31-28(34)18-38-21-14-11-19(12-15-21)32-29(35)23-8-3-4-9-24(23)30(36)37/h3-17H,2,18H2,1H3,(H,31,34)(H,32,35)(H,36,37)