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

Systemtic Name: methyl N-[[5-butyl-2-(cyclopropylcarbonylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-butyl-2-(cyclopropanecarbonylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-butyl-2-[[cyclopropyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-butyl-2-(cyclopropanecarbonylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-butyl-2-(cyclopropanecarbonylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)C2CC2)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)C2CC2)NC(=S)NC(=O)OC

InChI

InChI=1S/C17H23N3O3S/c1-3-4-5-11-6-9-13(18-15(21)12-7-8-12)14(10-11)19-16(24)20-17(22)23-2/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,18,21)(H2,19,20,22,24)