ethyl N-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methylcarbamothioylamino]carbamate

Systemtic Name: ethyl N-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methylcarbamothioylamino]carbamate Openeye Name: ethyl N-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methylcarbamothioylamino]carbamate CAS Name: N-[[[[2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methylamino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methylcarbamothioylamino]carbamate Traditional Name: N-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methylthiocarbamoylamino]carbamic acid ethyl ester Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)NNC(=O)OCC)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)NNC(=O)OCC)C(=O)C

InChI

InChI=1S/C18H23N5O3S2/c1-4-13-8-6-7-9-15(13)23(12(3)24)17-20-14(11-28-17)10-19-16(27)21-22-18(25)26-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,22,25)(H2,19,21,27)