3-methyl-N-[4-[(2-naphthalen-1-ylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[(2-naphthalen-1-ylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[[2-(1-naphthyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[(2-naphthalen-1-ylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[[2-(1-naphthyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-16(2)14-22(30)26-20-12-10-18(11-13-20)24(32)28-29-25(33)27-23(31)15-19-8-5-7-17-6-3-4-9-21(17)19/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,28,32)(H2,27,29,31,33)