ethyl 2-[[(5-methylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-methylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(5-methylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(5-methylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(5-methylthiophene-3-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3)C

InChI

InChI=1S/C21H21N3O3S3/c1-3-27-20(26)17-11-16(10-14-7-5-4-6-8-14)30-19(17)22-21(28)24-23-18(25)15-9-13(2)29-12-15/h4-9,11-12H,3,10H2,1-2H3,(H,23,25)(H2,22,24,28)