ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-thiocyanatoanilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-thiocyanatophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-4-thiocyanato-phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C15H17N5O4S3 MolecularWeight: 427.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCC

InChI

InChI=1S/C15H17N5O4S3/c1-3-23-14(21)19-12(25)17-10-6-5-9(27-8-16)7-11(10)18-13(26)20-15(22)24-4-2/h5-7H,3-4H2,1-2H3,(H2,17,19,21,25)(H2,18,20,22,26)