3-methyl-N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[(allylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[4-[oxo-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]butanamide Traditional Name: N-[4-[(allylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-butyramide Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C

InChI

InChI=1S/C16H22N4O2S/c1-4-9-17-16(23)20-19-15(22)12-5-7-13(8-6-12)18-14(21)10-11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,18,21)(H,19,22)(H2,17,20,23)