N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c1-14(24-11-15-8-16(12-24)10-17(9-15)13-24)25-23(32)26-22(28)21-7-6-20(31-21)18-4-2-3-5-19(18)27(29)30/h2-7,14-17H,8-13H2,1H3,(H2,25,26,28,32)/t14-,15?,16?,17?,24?/m1/s1