N-[4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[[4-(1-adamantyl)-2-thiazolyl]amino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CCCNC(=O)C5=CSC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CCCNC(=O)C5=CSC=C5

InChI

InChI=1S/C22H27N3O2S2/c26-19(2-1-4-23-20(27)17-3-5-28-12-17)25-21-24-18(13-29-21)22-9-14-6-15(10-22)8-16(7-14)11-22/h3,5,12-16H,1-2,4,6-11H2,(H,23,27)(H,24,25,26)