N-[2-methoxy-4-(propanoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-(propanoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[2-methoxy-4-(propanoylcarbamothioylamino)phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-(propanoylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[2-methoxy-4-(propionylthiocarbamoylamino)phenyl]valeramide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-4-6-7-15(21)18-12-9-8-11(10-13(12)22-3)17-16(23)19-14(20)5-2/h8-10H,4-7H2,1-3H3,(H,18,21)(H2,17,19,20,23)