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

Systemtic Name: 3-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C29H32N4O3S/c1-4-7-17-35-24-10-8-9-21(18-24)27(34)32-29(37)30-22-13-16-26-25(19-22)31-28(36-26)20-11-14-23(15-12-20)33(5-2)6-3/h8-16,18-19H,4-7,17H2,1-3H3,(H2,30,32,34,37)