N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[[3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H21FN4O3S/c1-16-4-2-3-5-21(16)24(33)27-20-13-9-18(10-14-20)23(32)29-30-25(34)28-22(31)15-8-17-6-11-19(26)12-7-17/h2-15H,1H3,(H,27,33)(H,29,32)(H2,28,30,31,34)