N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)-2-methoxy-phenyl]valeramide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC(C)C)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC(C)C)OC

InChI

InChI=1S/C18H27N3O3S/c1-5-6-7-16(22)20-14-9-8-13(11-15(14)24-4)19-18(25)21-17(23)10-12(2)3/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22)(H2,19,21,23,25)