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

Systemtic Name: methyl N-[[5-butyl-2-(ethoxycarbonylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-butyl-2-(ethoxycarbonylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-butyl-2-(ethoxycarbonylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-butyl-2-(ethoxycarbonylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-butyl-2-(carbethoxyamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-4-6-7-11-8-9-12(18-16(21)23-5-2)13(10-11)17-14(24)19-15(20)22-3/h8-10H,4-7H2,1-3H3,(H,18,21)(H2,17,19,20,24)