N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O2S2/c1-23(2,3)15-8-6-14(7-9-15)21-25-17-13-16(10-11-18(17)28-21)24-22(29)26-20(27)19-5-4-12-30-19/h4-13H,1-3H3,(H2,24,26,27,29)