N-(1-adamantylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-nitro-4-piperidino-benzamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3S/c28-21(18-4-5-19(20(11-18)27(29)30)26-6-2-1-3-7-26)24-22(31)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h4-5,11,15-17H,1-3,6-10,12-14H2,(H2,24,25,28,31)