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

Systemtic Name: 3,4,5-triethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H29N5O4S/c1-4-37-26-16-20(17-27(38-5-2)28(26)39-6-3)29(36)32-30(40)31-21-14-15-23-24(18-21)34-35(33-23)25-13-9-11-19-10-7-8-12-22(19)25/h7-18H,4-6H2,1-3H3,(H2,31,32,36,40)