N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

InChI

InChI=1S/C25H23N3O3S/c1-4-16-8-10-17(11-9-16)24-27-20-14-18(12-13-21(20)31-24)26-25(32)28-23(29)19-7-5-6-15(2)22(19)30-3/h5-14H,4H2,1-3H3,(H2,26,28,29,32)