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

Systemtic Name: N-[4-[[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S/c1-2-6-22(30)26-20-14-11-19(12-15-20)24(32)28-29-25(33)27-23(31)16-13-18-9-5-8-17-7-3-4-10-21(17)18/h3-5,7-16H,2,6H2,1H3,(H,26,30)(H,28,32)(H2,27,29,31,33)/b16-13+