4-bromanyl-3-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C29H20BrN5O2S MolecularWeight: 582.4704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)Br

InChI

InChI=1S/C29H20BrN5O2S/c1-37-27-22(15-18-8-3-5-11-21(18)26(27)30)28(36)32-29(38)31-19-13-14-23-24(16-19)34-35(33-23)25-12-6-9-17-7-2-4-10-20(17)25/h2-16H,1H3,(H2,31,32,36,38)