4-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C29H26BrN5O2S MolecularWeight: 588.51804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C29H26BrN5O2S/c1-3-4-7-18-10-13-21(14-11-18)35-33-24-15-12-20(17-25(24)34-35)31-29(38)32-28(36)23-16-19-8-5-6-9-22(19)26(30)27(23)37-2/h5-6,8-17H,3-4,7H2,1-2H3,(H2,31,32,36,38)