propan-2-yl N-[3-azanyl-4-(methoxycarbonylcarbamothioylamino)phenyl]carbamate

Systemtic Name: propan-2-yl N-[3-azanyl-4-(methoxycarbonylcarbamothioylamino)phenyl]carbamate Openeye Name: methyl N-[[2-amino-4-(isopropoxycarbonylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[3-amino-4-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[3-amino-4-(methoxycarbonylcarbamothioylamino)phenyl]carbamate Traditional Name: N-[3-amino-4-(carbomethoxythiocarbamoylamino)phenyl]carbamic acid isopropyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

Isomeric SMILES

CC(C)OC(=O)NC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

InChI

InChI=1S/C13H18N4O4S/c1-7(2)21-13(19)15-8-4-5-10(9(14)6-8)16-11(22)17-12(18)20-3/h4-7H,14H2,1-3H3,(H,15,19)(H2,16,17,18,22)