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

Systemtic Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbenzamide Traditional Name: 3-methyl-N-[4-[(pivaloylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H24N4O3S/c1-13-6-5-7-15(12-13)17(26)22-16-10-8-14(9-11-16)18(27)24-25-20(29)23-19(28)21(2,3)4/h5-12H,1-4H3,(H,22,26)(H,24,27)(H2,23,25,28,29)