4-[[cyclopropyl-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[cyclopropyl-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl-[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]amino]methyl]-N-methyl-benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC(=O)NC(=O)NCCC2=CC=CS2)C3CC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC(=O)NC(=O)NCCC2=CC=CS2)C3CC3

InChI

InChI=1S/C21H26N4O3S/c1-22-20(27)16-6-4-15(5-7-16)13-25(17-8-9-17)14-19(26)24-21(28)23-11-10-18-3-2-12-29-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,27)(H2,23,24,26,28)