N-[3-methyl-1-oxidanylidene-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[2-(1-pyrazolylmethyl)phenyl]methylamino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[[2-(pyrazol-1-ylmethyl)benzyl]carbamoyl]propyl]thiophene-2-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N4O2S/c1-15(2)19(24-20(26)18-9-5-12-28-18)21(27)22-13-16-7-3-4-8-17(16)14-25-11-6-10-23-25/h3-12,15,19H,13-14H2,1-2H3,(H,22,27)(H,24,26)