methyl N-[[2-(butanoylamino)-5-butyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(butanoylamino)-5-butyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(butanoylamino)-5-butyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[5-butyl-2-(1-oxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(butanoylamino)-5-butylphenyl]carbamothioyl]carbamate Traditional Name: N-[(5-butyl-2-butyramido-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)CCC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)CCC)NC(=S)NC(=O)OC

InChI

InChI=1S/C17H25N3O3S/c1-4-6-8-12-9-10-13(18-15(21)7-5-2)14(11-12)19-16(24)20-17(22)23-3/h9-11H,4-8H2,1-3H3,(H,18,21)(H2,19,20,22,24)