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

Systemtic Name: 8-[[3-[1-(1H-indol-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(1H-indol-6-ylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(1H-indol-6-ylamino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(1H-indol-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(1H-indol-6-ylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)C=CN2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)C=CN2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

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