methyl N-[(2-acetamido-4-butyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-acetamido-4-butyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-4-butyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-4-butylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-4-butylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-4-butyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-4-5-6-11-7-8-12(13(9-11)16-10(2)19)17-14(22)18-15(20)21-3/h7-9H,4-6H2,1-3H3,(H,16,19)(H2,17,18,20,22)