4,5-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)N3C=CC=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-4-11-22-21(27)24-17-9-7-16(8-10-17)23-19(26)18-14(2)15(3)28-20(18)25-12-5-6-13-25/h4-10,12-13H,1,11H2,2-3H3,(H,23,26)(H2,22,24,27)