N-[4-oxidanylidene-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[2-[4-(1-pyrazolyl)phenyl]ethylamino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]thiophene-3-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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