ethyl 2-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[oxo-(1-phenylcyclopentyl)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c1-2-29-19(27)15-10-11-17-18(14-15)31-22(24-17)26-21(30)25-20(28)23(12-6-7-13-23)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H2,24,25,26,28,30)