4,5-dimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 4,5-dimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 4,5-dimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 4,5-dimethyl-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-4,5-dimethyl-thiophene-2-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C

InChI

InChI=1S/C18H21N3O2S/c1-12-9-16(24-13(12)2)18(23)20-10-14-3-5-15(6-4-14)21-8-7-19-17(22)11-21/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,22)(H,20,23)