N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Traditional Name: N-[4-[(3-cyclohexylpropanoylthiocarbamoylamino)carbamoyl]phenyl]butyramide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H30N4O3S/c1-2-6-18(26)22-17-12-10-16(11-13-17)20(28)24-25-21(29)23-19(27)14-9-15-7-4-3-5-8-15/h10-13,15H,2-9,14H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)