N-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[allyl-[(5-chloro-2-thienyl)methyl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[allyl-[(5-chloro-2-thienyl)methyl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C23H31ClN2O2S MolecularWeight: 435.02244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31ClN2O2S/c1-2-8-26(15-19-5-6-20(24)29-19)21(27)4-3-7-25-22(28)23-12-16-9-17(13-23)11-18(10-16)14-23/h2,5-6,16-18H,1,3-4,7-15H2,(H,25,28)