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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]valeramide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-5-6-7-15(21)20-17(24)18-12-8-9-13(14(10-12)23-4)19-16(22)11(2)3/h8-11H,5-7H2,1-4H3,(H,19,22)(H2,18,20,21,24)