ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethyl-pyrrol-2-yl]carbothioylcarbamate

Systemtic Name: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethyl-pyrrol-2-yl]carbothioylcarbamate Openeye Name: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethyl-pyrrole-2-carbothioyl]carbamate CAS Name: N-[[4-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1,5-dimethyl-2-pyrrolyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpyrrole-2-carbothioyl]carbamate Traditional Name: N-[4-(carbethoxythiocarbamoylamino)-1,5-dimethyl-pyrrole-2-carbothioyl]carbamic acid ethyl ester Formula: C14H20N4O4S2 MolecularWeight: 372.463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=CC(=C(N1C)C)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)C1=CC(=C(N1C)C)NC(=S)NC(=O)OCC

InChI

InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24)