N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[methyl-[4-(methylthio)benzyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O2S/c1-16(2)22(23(28)27(3)15-17-5-7-21(30-4)8-6-17)26-24(29)25-12-18-9-19(13-25)11-20(10-18)14-25/h5-8,16,18-20,22H,9-15H2,1-4H3,(H,26,29)