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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C28H30N4O3S/c1-4-17-34-23-14-9-19(10-15-23)26(33)31-28(36)29-21-11-16-25-24(18-21)30-27(35-25)20-7-12-22(13-8-20)32(5-2)6-3/h7-16,18H,4-6,17H2,1-3H3,(H2,29,31,33,36)