3,4,5-triethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H29N3O5S/c1-4-36-26-16-20(17-27(37-5-2)28(26)38-6-3)29(35)34-31(40)32-21-14-15-25-24(18-21)33-30(39-25)23-13-9-11-19-10-7-8-12-22(19)23/h7-18H,4-6H2,1-3H3,(H2,32,34,35,40)