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

Systemtic Name: propan-2-yl 2-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 2-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S2/c1-15(2)30-20(28)16-10-11-18-19(14-16)32-23(25-18)27-22(31)26-21(29)24(12-6-7-13-24)17-8-4-3-5-9-17/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3,(H2,25,26,27,29,31)