propan-2-yl 2-[(4-ethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(4-ethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-ethylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-ethylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-ethylbenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H21N3O3S2/c1-4-13-5-7-14(8-6-13)18(25)23-20(28)24-21-22-16-10-9-15(11-17(16)29-21)19(26)27-12(2)3/h5-12H,4H2,1-3H3,(H2,22,23,24,25,28)