N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(isobutyrylthiocarbamoylamino)carbamoyl]phenyl]cyclohexanecarboxamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C19H26N4O3S/c1-12(2)16(24)21-19(27)23-22-18(26)14-8-10-15(11-9-14)20-17(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,20,25)(H,22,26)(H2,21,23,24,27)