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

Systemtic Name: 4-bromanyl-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C27H22BrN5O2S MolecularWeight: 560.46488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C27H22BrN5O2S/c1-3-16-8-11-19(12-9-16)33-31-22-13-10-18(15-23(22)32-33)29-27(36)30-26(34)21-14-17-6-4-5-7-20(17)24(28)25(21)35-2/h4-15H,3H2,1-2H3,(H2,29,30,34,36)