8-[[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C30H27N3O4S MolecularWeight: 525.61808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C30H27N3O4S/c34-27(33-17-15-32(16-18-33)23-10-2-1-3-11-23)20-38-24-12-6-9-22(19-24)31-29(35)25-13-4-7-21-8-5-14-26(28(21)25)30(36)37/h1-14,19H,15-18,20H2,(H,31,35)(H,36,37)