N-[1-(1-adamantyl)ethylcarbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O3S/c1-15(24-12-16-8-17(13-24)10-18(9-16)14-24)25-23(32)26-22(29)19-4-5-20(21(11-19)28(30)31)27-6-2-3-7-27/h4-5,11,15-18H,2-3,6-10,12-14H2,1H3,(H2,25,26,29,32)