N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[4-[(pivaloylthiocarbamoylamino)carbamoyl]phenyl]butyramide Formula: C18H26N4O3S MolecularWeight: 378.48904

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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)C(C)(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H26N4O3S/c1-11(2)10-14(23)19-13-8-6-12(7-9-13)15(24)21-22-17(26)20-16(25)18(3,4)5/h6-9,11H,10H2,1-5H3,(H,19,23)(H,21,24)(H2,20,22,25,26)