N-[3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O3S2/c1-2-34-22-6-7-23-24(12-22)36-27(31-23)35-16-25(32)29-20-4-3-5-21(11-20)30-26(33)28-13-17-8-18(14-28)10-19(9-17)15-28/h3-7,11-12,17-19H,2,8-10,13-16H2,1H3,(H,29,32)(H,30,33)