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

Systemtic Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

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

InChI

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