N-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(adamantane-1-carbonyl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O3S/c28-21(2-1-4-25-22(29)20-3-9-31-16-20)26-5-7-27(8-6-26)23(30)24-13-17-10-18(14-24)12-19(11-17)15-24/h3,9,16-19H,1-2,4-8,10-15H2,(H,25,29)