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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

InChI

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