N-[3-methyl-1-oxidanylidene-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N7O2S/c1-15(2)18(22-19(29)17-9-6-14-31-17)20(30)26-10-12-27(13-11-26)21-23-24-25-28(21)16-7-4-3-5-8-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,22,29)