8-[[3-[2-(1H-indol-6-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1H-indol-6-ylamino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1H-indol-6-ylamino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=CC5=C(C=C4)C=CN5)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=CC5=C(C=C4)C=CN5)C(=CC=C2)C(=O)O

InChI

InChI=1S/C28H21N3O4S/c32-25(30-20-11-10-17-12-13-29-24(17)15-20)16-36-21-7-3-6-19(14-21)31-27(33)22-8-1-4-18-5-2-9-23(26(18)22)28(34)35/h1-15,29H,16H2,(H,30,32)(H,31,33)(H,34,35)