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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S/c1-4-30(5-2)21-12-9-18(10-13-21)25-28-22-16-20(11-14-23(22)32-25)27-26(33)29-24(31)19-8-6-7-17(3)15-19/h6-16H,4-5H2,1-3H3,(H2,27,29,31,33)