N-[4-oxidanylidene-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[[4-(1-pyrazolylmethyl)phenyl]methylamino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[[4-(pyrazol-1-ylmethyl)benzyl]amino]butyl]thiophene-3-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H22N4O2S/c25-19(3-1-9-21-20(26)18-8-12-27-15-18)22-13-16-4-6-17(7-5-16)14-24-11-2-10-23-24/h2,4-8,10-12,15H,1,3,9,13-14H2,(H,21,26)(H,22,25)