ethyl 4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C20H23N3O3S2/c1-3-26-19(25)13-5-7-15(8-6-13)21-20(27)23-22-18(24)17-11-14-10-12(2)4-9-16(14)28-17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)(H2,21,23,27)