1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-(furan-2-ylmethyl)amino]-N-phenyl-cyclohexane-1-carboxamide

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-(furan-2-ylmethyl)amino]-N-phenyl-cyclohexane-1-carboxamide Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-(2-furylmethyl)amino]-N-phenyl-cyclohexanecarboxamide CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]-(2-furanylmethyl)amino]-N-phenyl-1-cyclohexanecarboxamide IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-(furan-2-ylmethyl)amino]-N-phenylcyclohexane-1-carboxamide Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylthio)propanoyl]-(2-furfuryl)amino]-N-phenyl-cyclohexanecarboxamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CO1)C2(CCCCC2)C(=O)NC3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CO1)C2(CCCCC2)C(=O)NC3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O3S2/c1-20(35-27-30-23-14-6-7-15-24(23)36-27)25(32)31(19-22-13-10-18-34-22)28(16-8-3-9-17-28)26(33)29-21-11-4-2-5-12-21/h2,4-7,10-15,18,20H,3,8-9,16-17,19H2,1H3,(H,29,33)/t20-/m0/s1