5-(2,2-dimethylpropanoylamino)-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-methyl-5-(pivaloylamino)thiophene-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

InChI

InChI=1S/C21H26N4O3S/c1-6-11-22-20(28)24-15-9-7-14(8-10-15)23-18(26)17-13(2)12-16(29-17)25-19(27)21(3,4)5/h6-10,12H,1,11H2,2-5H3,(H,23,26)(H,25,27)(H2,22,24,28)