N-[4-[[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C26H26N4O3S MolecularWeight: 474.57464

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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=CC3=CC=CC=C32

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H26N4O3S/c1-2-3-11-23(31)27-21-15-12-20(13-16-21)25(33)29-30-26(34)28-24(32)17-14-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,12-17H,2-3,11H2,1H3,(H,27,31)(H,29,33)(H2,28,30,32,34)/b17-14+