N-[1-[2-oxidanylidene-2-[2-(4-propan-2-yloxyphenyl)ethylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxamide

Systemtic Name: N-[1-[2-oxidanylidene-2-[2-(4-propan-2-yloxyphenyl)ethylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxamide Openeye Name: N-[1-[2-[2-(4-isopropoxyphenyl)ethylamino]-2-oxo-ethyl]pyrazol-4-yl]thiophene-3-carboxamide CAS Name: N-[1-[2-oxo-2-[2-(4-propan-2-yloxyphenyl)ethylamino]ethyl]-4-pyrazolyl]-3-thiophenecarboxamide IUPAC Name: N-[1-[2-oxo-2-[2-(4-propan-2-yloxyphenyl)ethylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxamide Traditional Name: N-[1-[2-[2-(4-isopropoxyphenyl)ethylamino]-2-keto-ethyl]pyrazol-4-yl]thiophene-3-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)CN2C=C(C=N2)NC(=O)C3=CSC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)CN2C=C(C=N2)NC(=O)C3=CSC=C3

InChI

InChI=1S/C21H24N4O3S/c1-15(2)28-19-5-3-16(4-6-19)7-9-22-20(26)13-25-12-18(11-23-25)24-21(27)17-8-10-29-14-17/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,22,26)(H,24,27)