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

Systemtic Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H21FN4O3S/c1-2-3-18(27)23-17-11-7-15(8-12-17)20(29)25-26-21(30)24-19(28)13-6-14-4-9-16(22)10-5-14/h4-13H,2-3H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)