2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(diethylcarbamoyl)phenyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(diethylcarbamoyl)phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[4-(diethylcarbamoyl)phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[4-[diethylamino(oxo)methyl]phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[4-(diethylcarbamoyl)phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[4-(diethylcarbamoyl)phenyl]benzamide Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37N3O3S/c1-3-33(4-2)29(36)23-9-11-24(12-10-23)31-28(35)25-7-5-6-8-26(25)37-19-27(34)32-30-16-20-13-21(17-30)15-22(14-20)18-30/h5-12,20-22H,3-4,13-19H2,1-2H3,(H,31,35)(H,32,34)