N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: 3,4-dimethyl-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)C)C

InChI

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