N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]thiophene-2-carboxamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]thiophene-2-carboxamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]thiophene-2-carboxamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]thiophene-2-carboxamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]thiophene-2-carboxamide Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CS1)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CS1)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3O2S/c1-12(21-22-18(24)16-3-2-4-25-16)5-17(23)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-4,13-15H,5-11H2,1H3,(H,20,23)(H,22,24)/b21-12+