S-[3-[[(E)-4-methylpent-2-enoyl]-propanoyl-amino]phenyl] N-methylcarbamothioate

Systemtic Name: S-[3-[[(E)-4-methylpent-2-enoyl]-propanoyl-amino]phenyl] N-methylcarbamothioate Openeye Name: S-[3-[[(E)-4-methylpent-2-enoyl]-propanoyl-amino]phenyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid S-[3-[[(E)-4-methyl-1-oxopent-2-enyl]-(1-oxopropyl)amino]phenyl] ester IUPAC Name: S-[3-[[(E)-4-methylpent-2-enoyl]-propanoylamino]phenyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid S-[3-[[(E)-4-methylpent-2-enoyl]-propionyl-amino]phenyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC(=CC=C1)SC(=O)NC)C(=O)C=CC(C)C

Isomeric SMILES

CCC(=O)N(C1=CC(=CC=C1)SC(=O)NC)C(=O)/C=C/C(C)C

InChI

InChI=1S/C17H22N2O3S/c1-5-15(20)19(16(21)10-9-12(2)3)13-7-6-8-14(11-13)23-17(22)18-4/h6-12H,5H2,1-4H3,(H,18,22)/b10-9+