methanamide; methyl N-[(4-butylphenyl)carbamothioyl]carbamate

Systemtic Name: methanamide; methyl N-[(4-butylphenyl)carbamothioyl]carbamate Openeye Name: formamide; methyl N-[(4-butylphenyl)carbamothioyl]carbamate CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]carbamic acid methyl ester; formamide IUPAC Name: formamide; methyl N-[(4-butylphenyl)carbamothioyl]carbamate Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]carbamic acid methyl ester; formamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S.CH3NO/c1-3-4-5-10-6-8-11(9-7-10)14-12(18)15-13(16)17-2;2-1-3/h6-9H,3-5H2,1-2H3,(H2,14,15,16,18);1H,(H2,2,3)