N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-methyl-benzamide Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N4O2S2/c1-18-10-12-19(13-11-18)26(33)28-14-15-31-16-24(20-6-2-4-8-22(20)31)34-17-25(32)30-27-29-21-7-3-5-9-23(21)35-27/h2-13,16H,14-15,17H2,1H3,(H,28,33)(H,29,30,32)