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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C23H26N4O3S/c1-3-4-5-20(28)24-19-13-11-18(12-14-19)22(30)26-27-23(31)25-21(29)15-10-17-8-6-16(2)7-9-17/h6-15H,3-5H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,31)/b15-10+