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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]hexanamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-5-6-7-8-16(22)21-18(25)19-13-9-10-14(15(11-13)24-4)20-17(23)12(2)3/h9-12H,5-8H2,1-4H3,(H,20,23)(H2,19,21,22,25)