N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-(acenaphthen-5-ylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H21N3O2S2 MolecularWeight: 495.61524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3O2S2/c32-25(30-22-13-11-18-10-9-17-7-4-8-21(22)26(17)18)16-34-28-31-23-14-12-20(15-24(23)35-28)29-27(33)19-5-2-1-3-6-19/h1-8,11-15H,9-10,16H2,(H,29,33)(H,30,32)