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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2S/c1-5-32(6-2)23-14-11-21(12-15-23)27-30-24-17-22(13-16-25(24)34-27)29-28(35)31-26(33)20-9-7-19(8-10-20)18(3)4/h7-18H,5-6H2,1-4H3,(H2,29,31,33,35)