ethyl N-[(2-acetamido-5-butyl-phenyl)carbamothioyl]carbamate

Systemtic Name: ethyl N-[(2-acetamido-5-butyl-phenyl)carbamothioyl]carbamate Openeye Name: ethyl N-[(2-acetamido-5-butyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-5-butylanilino)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2-acetamido-5-butylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-5-butyl-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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