3-methyl-N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C23H26N4O3S/c1-15(2)14-21(29)24-19-11-9-18(10-12-19)22(30)26-27-23(31)25-20(28)13-8-17-6-4-16(3)5-7-17/h4-13,15H,14H2,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,31)/b13-8+