4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide

Systemtic Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide IUPAC Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C21H23N5O2S/c1-14(2)24-20(28)23-13-15-6-8-16(9-7-15)19(27)25-17-4-3-5-18(12-17)26-11-10-22-21(26)29/h3-12,14H,13H2,1-2H3,(H,22,29)(H,25,27)(H2,23,24,28)