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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C23H28N4O2S MolecularWeight: 424.55902

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-5-27(6-2)18-10-7-16(8-11-18)22-25-19-14-17(9-12-20(19)29-22)24-23(30)26-21(28)13-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H2,24,26,28,30)