2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(9-ethylcarbazol-3-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(9-ethylcarbazol-3-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(9-ethylcarbazol-3-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(9-ethyl-3-carbazolyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(9-ethylcarbazol-3-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(9-ethylcarbazol-3-yl)benzamide Formula: C33H35N3O2S MolecularWeight: 537.7149

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C71

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C71

InChI

InChI=1S/C33H35N3O2S/c1-2-36-28-9-5-3-7-25(28)27-16-24(11-12-29(27)36)34-32(38)26-8-4-6-10-30(26)39-20-31(37)35-33-17-21-13-22(18-33)15-23(14-21)19-33/h3-12,16,21-23H,2,13-15,17-20H2,1H3,(H,34,38)(H,35,37)